Geometry & MOs

Info

ID:	174096
PubChem CID:	75723639
Reduced:	ClN3O4C24H30 (1)
Stoich.:	AB3C4D24E30 (1)
Weight, g/mol:	489.203049
ΔH_f, kcal/mol:	-87.24
Dipole, Da:	6.07
IP(EA), eV:	-9.62(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-N-(2-methoxyacetyl)anilino)-2-(4-nitrophenyl)-N-(2,4,4-trimethylpentan-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCCCC(C(=O)NCCCC)N(C1=CC=CC=C1Cl)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations