Geometry & MOs

Info

ID:	52374
PubChem CID:	12015217
Reduced:	SN2H5C8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	207.100777
ΔH_f, kcal/mol:	151.07
Dipole, Da:	1.91
IP(EA), eV:	-8.83(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-N-methyl-1-N'-(4-methylphenyl)-2-nitroethene-1,1-diamine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C3C(=N2)SC4C(S3)N=C5C=CC=CC5=N4

DOS

IR

Vibrations