Geometry & MOs

Info

ID:

169167

PubChem CID:

75069624

Reduced:

O2N4C39H44 (1)

Stoich.:

A2B4C39D44 (1)

Weight, g/mol:

570.335862

ΔHf, kcal/mol:

238.74

Dipole, Da:

2.53

IP(EA), eV:

 -7.94(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-ethylidene-10-(3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl)-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,9-tetraen-11-ol

Drug info:

PubChemData

Smile

CC=C1CN2CCC34C2CC1C5C3N(C6C7(C8CC9C1(C7N(C5O6)C2=CC=CC=C21)CCN9CC8=CC)OC)C1=CC=CC=C41

DOS

IR

Vibrations