Geometry & MOs

Info

ID:	217752
PubChem CID:	85088324
Reduced:	ClO2N4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	395.134202
ΔH_f, kcal/mol:	-18.95
Dipole, Da:	6.49
IP(EA), eV:	-9.22(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dinitrophenyl)hydrazinylidene]-N-methyl-4-(4-methylphenyl)pyrimidin-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC2=CC=NC=C2)NC(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations