Geometry & MOs

Info

ID:	371743
PubChem CID:	131271445
Reduced:	ClN3H10C11 (1)
Stoich.:	AB3C10D11 (1)
Weight, g/mol:	223.08087
ΔH_f, kcal/mol:	55.05
Dipole, Da:	3.77
IP(EA), eV:	-8.98(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-2-(difluoromethyl)-3-ethylbenzonitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)NC(=C2)[C@@H](CC#N)N

DOS

IR

Vibrations