Geometry & MOs

Info

ID:

43493

PubChem CID:

10321386

Reduced:

NO4H21C29 (1)

Stoich.:

AB4C21D29 (1)

Weight, g/mol:

447.179421

ΔHf, kcal/mol:

-42.97

Dipole, Da:

4.51

IP(EA), eV:

 -9.19(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-16,17-dimethoxy-5,7-dioxa-11-azapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(21),2,4(8),9,11,13,15,17,19-nonaene-20-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(C(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C=C3)NC5=CC=C(C=C5)C(=O)O

DOS

IR

Vibrations