Geometry & MOs

Info

ID:	334506
PubChem CID:	127253181
Reduced:	N4O9C26H30 (1)
Stoich.:	A4B9C26D30 (1)
Weight, g/mol:	335.199762
ΔH_f, kcal/mol:	-326.95
Dipole, Da:	4.38
IP(EA), eV:	-8.65(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-pyrrol-1-yl-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)hexan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)N[C@@H](C)C(=O)NCC2=CC(=O)N(C(=O)N2C)C)C3=CC(=C(C=C3)O)OC)O

DOS

IR

Vibrations