Geometry & MOs

Info

ID:	233207
PubChem CID:	89449284
Reduced:	IO2S2H7C9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	158.065555
ΔH_f, kcal/mol:	-25.68
Dipole, Da:	1.74
IP(EA), eV:	-8.87(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[amino(difluoro)methyl]aniline

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(S1)C=C(S2)I

DOS

IR

Vibrations