Geometry & MOs

Info

ID:	174056
PubChem CID:	75716077
Reduced:	N3O6C25H32 (1)
Stoich.:	A3B6C25D32 (1)
Weight, g/mol:	471.236936
ΔH_f, kcal/mol:	-130.15
Dipole, Da:	8.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.773944
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[1-(4-methoxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-methyl-5-nitrobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)C(C1=CC=C(C=C1)OC)N(C)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])[O-]

DOS

IR

Vibrations