Geometry & MOs

Info

ID:	79532
PubChem CID:	49816812
Reduced:	ClO2F3N3H17C21 (1)
Stoich.:	AB2C3D3E17F21 (1)
Weight, g/mol:	373.155705
ΔH_f, kcal/mol:	-193.34
Dipole, Da:	3.96
IP(EA), eV:	-9.41(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-chlorophenyl)-4-ethyl-6-oxopyrimidin-1-yl]-N-cyclohexylacetamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)N(C(=N1)C2=CC(=CC=C2)Cl)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations