Geometry & MOs

Info

ID:	375412
PubChem CID:	131529543
Reduced:	ClN3H6C9 (1)
Stoich.:	AB3C6D9 (1)
Weight, g/mol:	203.069477
ΔH_f, kcal/mol:	74.66
Dipole, Da:	2.04
IP(EA), eV:	-9.03(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-aminoprop-2-enyl]-2-nitrobenzonitrile

Drug info:

PubChemData

Smile

CC1=NC=C2N1C=C(C(=C2)Cl)C#N

DOS

IR

Vibrations