Geometry & MOs

Info

ID:	147796
PubChem CID:	53787454
Reduced:	OSN5H15C16 (1)
Stoich.:	ABC5D15E16 (1)
Weight, g/mol:	229.132746
ΔH_f, kcal/mol:	87.7
Dipole, Da:	3.28
IP(EA), eV:	-8.96(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N,4-N-dimethyl-1-N-[(5-methylimidazol-4-ylidene)amino]benzene-1,4-diamine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=S)N(N=N2)CNC(=O)C3=CC=CC=C3

DOS

IR

Vibrations