Geometry & MOs

Info

ID:	373274
PubChem CID:	131312489
Reduced:	IO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	233.078283
ΔH_f, kcal/mol:	-50.48
Dipole, Da:	4.97
IP(EA), eV:	-8.98(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-chloro-6-(difluoromethyl)phenyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

COC1=C(C2=C(CCC(=O)C2)C=C1)I

DOS

IR

Vibrations