Geometry & MOs

Info

ID:

50555

PubChem CID:

12013102

Reduced:

O2N3H19C26 (1)

Stoich.:

A2B3C19D26 (1)

Weight, g/mol:

343.132077

ΔHf, kcal/mol:

32.12

Dipole, Da:

7.27

IP(EA), eV:

 -8.6(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15-[[(2R)-1-hydroxypropan-2-yl]amino]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-11-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](CO)NC2=C3C=CC=C4C3=C(C=C2)C(=O)N5C4=NC6=CC=CC=C65

DOS

IR

Vibrations