Geometry & MOs

Info

ID:	174168
PubChem CID:	75733776
Reduced:	ClN2O2C29H33 (1)
Stoich.:	AB2C2D29E33 (1)
Weight, g/mol:	510.22609
ΔH_f, kcal/mol:	-16.39
Dipole, Da:	5.1
IP(EA), eV:	-8.89(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-oxo-1-[4-(trifluoromethyl)phenyl]-2-(2,4,4-trimethylpentan-2-ylamino)ethyl]-N-propylbenzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C(C1=CC=CC=C1)C2=CC=CC=C2)N(CCC)C(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations