Geometry & MOs

Info

ID:	234747
PubChem CID:	92303427
Reduced:	ON3H15C18 (1)
Stoich.:	AB3C15D18 (1)
Weight, g/mol:	347.992929
ΔH_f, kcal/mol:	54.06
Dipole, Da:	6.04
IP(EA), eV:	-8.74(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[(E)-1-cyano-2-(2,4-dichloro-5-nitrophenyl)ethenyl]-1H-pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)/C(=C\2/NC3=CC=CC=C3N2C)/C#N

DOS

IR

Vibrations