Geometry & MOs

Info

ID:	374829
PubChem CID:	131348479
Reduced:	ClO2N4H7C9 (1)
Stoich.:	AB2C4D7E9 (1)
Weight, g/mol:	196.040341
ΔH_f, kcal/mol:	-6.86
Dipole, Da:	8.87
IP(EA), eV:	-9.73(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-2-chloro-5-methoxy-4-methylbenzonitrile

Drug info:

PubChemData

Smile

CN1C=C(N=C1C2=NC=CN=C2Cl)C(=O)O

DOS

IR

Vibrations