Geometry & MOs

Info

ID:	13691
PubChem CID:	396916
Reduced:	ON5C24H25 (1)
Stoich.:	AB5C24D25 (1)
Weight, g/mol:	399.20591
ΔH_f, kcal/mol:	104.4
Dipole, Da:	4.56
IP(EA), eV:	-7.92(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[C-[4-(dimethylamino)phenyl]-N-(4-methylanilino)carbonimidoyl]imino-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N=NC(=NNC2=CC=C(C=C2)C)C3=CC=C(C=C3)N(C)C

DOS

IR

Vibrations