Geometry & MOs

Info

ID:	334665
PubChem CID:	127253340
Reduced:	N3O4H19C21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	399.09462
ΔH_f, kcal/mol:	-40.21
Dipole, Da:	4.48
IP(EA), eV:	-7.89(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-(2,5-dimethylpyrrol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=C(N1O)C2=CC3=CC=CC=C3NC2=O)C4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations