Geometry & MOs

Info

ID:	372363
PubChem CID:	131296599
Reduced:	SO4H8C10 (1)
Stoich.:	AB4C8D10 (1)
Weight, g/mol:	212.076119
ΔH_f, kcal/mol:	-118.26
Dipole, Da:	5.6
IP(EA), eV:	-8.84(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[3-(difluoromethyl)-2-hydroxy-5-methylphenyl]acetonitrile

Drug info:

PubChemData

Smile

COC1=C(C2=C(S1)C=C(C=C2)C(=O)O)O

DOS

IR

Vibrations