Geometry & MOs

Info

ID:	79526
PubChem CID:	49816799
Reduced:	ClO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	389.210327
ΔH_f, kcal/mol:	-32.89
Dipole, Da:	4.48
IP(EA), eV:	-9.28(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-butylphenyl)-2-(4-ethyl-6-oxo-2-phenylpyrimidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)N(C(=N1)C2=CC=CC=C2)CC(=O)NC3=C(C=CC=C3Cl)C

DOS

IR

Vibrations