Geometry & MOs

Info

ID:	79524
PubChem CID:	49816687
Reduced:	ClO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	333.124405
ΔH_f, kcal/mol:	-32.21
Dipole, Da:	3.55
IP(EA), eV:	-9.61(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[2-(3-chlorophenyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(C)C(=O)CN2C(=O)C=C(N=C2C3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations