Geometry & MOs

Info

ID:	220823
PubChem CID:	85240126
Reduced:	N5H13C16 (1)
Stoich.:	A5B13C16 (1)
Weight, g/mol:	275.084081
ΔH_f, kcal/mol:	144.03
Dipole, Da:	1.0
IP(EA), eV:	-8.93(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-acetylhydrazinyl)-3-amino-2-cyano-N-phenylprop-2-enethioamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=NNC2=NC=CC=N2)C3=CC=CC=N3

DOS

IR

Vibrations