Geometry & MOs

Info

ID:	79531
PubChem CID:	49816811
Reduced:	ClO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	435.096139
ΔH_f, kcal/mol:	-32.26
Dipole, Da:	2.97
IP(EA), eV:	-9.65(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-chlorophenyl)-4-ethyl-6-oxopyrimidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)N(C(=N1)C2=CC(=CC=C2)Cl)CC(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations