Geometry & MOs

Info

ID:	79534
PubChem CID:	49816814
Reduced:	ClN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	347.140055
ΔH_f, kcal/mol:	-77.62
Dipole, Da:	3.98
IP(EA), eV:	-8.35(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-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)Cl)CC(=O)NC3=CC=C(C=C3)OCC

DOS

IR

Vibrations