Geometry & MOs

Info

ID:	170236
PubChem CID:	75211680
Reduced:	ClO4N6H21C26 (1)
Stoich.:	AB4C6D21E26 (1)
Weight, g/mol:	500.136366
ΔH_f, kcal/mol:	47.21
Dipole, Da:	8.53
IP(EA), eV:	-8.85(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]-3-[1-(4-nitrophenyl)ethylideneamino]urea

Drug info:

PubChemData

Smile

CC(=NNC(=O)NC1=NC(=CC(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

DOS

IR

Vibrations