Geometry & MOs

Info

ID:	334650
PubChem CID:	127253325
Reduced:	N4O7C37H42 (1)
Stoich.:	A4B7C37D42 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-210.22
Dipole, Da:	13.0
IP(EA), eV:	-8.69(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-6-pyrrol-1-ylhexan-1-one

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=CC2=C(C=C1)C(=CC(=O)N2)C)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations