Geometry & MOs

Info

ID:

308566

PubChem CID:

126497044

Reduced:

N3O5H25C26 (1)

Stoich.:

A3B5C25D26 (1)

Weight, g/mol:

694.279135

ΔHf, kcal/mol:

-28.72

Dipole, Da:

7.56

IP(EA), eV:

 -8.66(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-[[3-[[4-(2,3-dihydroindole-1-carbonyl)-2-methoxy-5-(methylamino)phenoxy]methyl]phenyl]methoxy]-8-methoxy-12a,13-dihydroindolo[2,1-c][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CCC1=CC(=CC(=C1)[N+](=O)[O-])COC2=C(C=C(C(=C2)N=C)C(=O)N3CCC4=CC=CC=C43)OC

DOS

IR

Vibrations