Geometry & MOs

Info

ID:	238564
PubChem CID:	92741924
Reduced:	ClO3N4C27H31 (1)
Stoich.:	AB3C4D27E31 (1)
Weight, g/mol:	490.258006
ΔH_f, kcal/mol:	-102.7
Dipole, Da:	6.68
IP(EA), eV:	-8.13(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-10-acetamido-2-[(3-methoxyphenyl)methyl]-3-methyl-N-(3-methylbutyl)-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)[C@]1(CN2C3=CC=CC=C3C(=C2C(=O)N1CC4=CC(=CC=C4)Cl)NC(=O)C)C

DOS

IR

Vibrations