Geometry & MOs

Info

ID:	334465
PubChem CID:	127253017
Reduced:	ClNO8C24H26 (1)
Stoich.:	ABC8D24E26 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-265.83
Dipole, Da:	4.65
IP(EA), eV:	-8.83(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethylpyrrol-1-yl)-1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC(COCC4=CC=CO4)O

DOS

IR

Vibrations