Geometry & MOs

Info

ID:	217131
PubChem CID:	85087302
Reduced:	N3O3H17C19 (1)
Stoich.:	A3B3C17D19 (1)
Weight, g/mol:	335.138225
ΔH_f, kcal/mol:	-12.58
Dipole, Da:	3.48
IP(EA), eV:	-8.89(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethyl-4-phenylpyrimidin-2-ylidene)amino]-4-nitroaniline

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2C3=C1C4=C(C=C3)C(C(C(C4N=[N+]=[N-])O)O)O

DOS

IR

Vibrations