Geometry & MOs

Info

ID:	293406
PubChem CID:	117387305
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	-97.6
Dipole, Da:	5.29
IP(EA), eV:	-9.49(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)acetonitrile

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C=C(C=C2Cl)C(CC(=O)O)N

DOS

IR

Vibrations