Geometry & MOs

Info

ID:	174102
PubChem CID:	75724682
Reduced:	ClN2O4C29H31 (1)
Stoich.:	AB2C4D29E31 (1)
Weight, g/mol:	536.244185
ΔH_f, kcal/mol:	-108.77
Dipole, Da:	3.6
IP(EA), eV:	-8.46(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)Cl)C(=O)C4=CC=CC=C4)OC

DOS

IR

Vibrations