Geometry & MOs

Info

ID:	302912
PubChem CID:	124403652
Reduced:	N4O4C25H36 (1)
Stoich.:	A4B4C25D36 (1)
Weight, g/mol:	465.226371
ΔH_f, kcal/mol:	-196.46
Dipole, Da:	1.91
IP(EA), eV:	-8.26(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,4aR,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

CCOC1=CC=C(C=C1)NC(=O)C[C@@H]2C(=O)N[C@@H]3CCCC[C@@H]3N2C(=O)NC4CCCCC4

DOS

IR

Vibrations