Geometry & MOs

Info

ID:	125043
PubChem CID:	50907845
Reduced:	O2Cl3N3H18C22 (1)
Stoich.:	A2B3C3D18E22 (1)
Weight, g/mol:	400.049381
ΔH_f, kcal/mol:	-8.21
Dipole, Da:	5.03
IP(EA), eV:	-9.35(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-N-(4-chloroanilino)-C-(4-chlorobenzoyl)carbonimidoyl]-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C(=O)C(=O)N2CCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations