Geometry & MOs

Info

ID:	174058
PubChem CID:	75716760
Reduced:	Cl2N3O4C21H23 (1)
Stoich.:	A2B3C4D21E23 (1)
Weight, g/mol:	438.288243
ΔH_f, kcal/mol:	-80.42
Dipole, Da:	7.28
IP(EA), eV:	-9.85(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-N-methyl-N-[2-oxo-1-phenyl-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]propanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])N(C)C(=O)CC2=C(C(=CC=C2)Cl)Cl

DOS

IR

Vibrations