Geometry & MOs

Info

ID:	302913
PubChem CID:	124403653
Reduced:	N3O5C26H31 (1)
Stoich.:	A3B5C26D31 (1)
Weight, g/mol:	465.226371
ΔH_f, kcal/mol:	-184.76
Dipole, Da:	3.81
IP(EA), eV:	-8.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,4aS,8aS)-1-(3,5-dimethoxybenzoyl)-3-oxo-2,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-yl]-N-(3-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)C4=CC(=CC(=C4)OC)OC

DOS

IR

Vibrations