Geometry & MOs

Info

ID:	372346
PubChem CID:	131296476
Reduced:	O2C5H6 (2)
Stoich.:	A2B5C6 (2)
Weight, g/mol:	212.076119
ΔH_f, kcal/mol:	-154.0
Dipole, Da:	3.21
IP(EA), eV:	-9.0(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-[2-(difluoromethyl)-3-methoxyphenyl]acetonitrile

Drug info:

PubChemData

Smile

C[C@H](C1=CC(=C(C=C1)O)OC)C(=O)O

DOS

IR

Vibrations