Geometry & MOs

Info

ID:	372091
PubChem CID:	131293119
Reduced:	N2C5H8 (2)
Stoich.:	A2B5C8 (2)
Weight, g/mol:	232.046649
ΔH_f, kcal/mol:	46.62
Dipole, Da:	4.84
IP(EA), eV:	-8.94(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-1-[4-(difluoromethyl)-3-methylphenyl]propan-2-one

Drug info:

PubChemData

Smile

CC1=C(N(N=C1C)C)C(CCN)C#N

DOS

IR

Vibrations