Geometry & MOs

Info

ID:	79530
PubChem CID:	49816810
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	381.124405
ΔH_f, kcal/mol:	-29.51
Dipole, Da:	1.71
IP(EA), eV:	-9.25(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=O)N(C(=N1)C2=CC=CC=C2)CC(=O)NC3CCC4=CC=CC=C34

DOS

IR

Vibrations