Geometry & MOs

Info

ID:	170235
PubChem CID:	75211269
Reduced:	ClO2N4C26H33 (1)
Stoich.:	AB2C4D26E33 (1)
Weight, g/mol:	516.131281
ΔH_f, kcal/mol:	-53.31
Dipole, Da:	2.76
IP(EA), eV:	-8.49(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)OCC2CC2)C(=O)N3CCCCC3CC4=C(N5C=CC=C(C5=N4)C)C.Cl

DOS

IR

Vibrations