Geometry & MOs

Info

ID:	372562
PubChem CID:	131299806
Reduced:	NSO2C11H21 (1)
Stoich.:	ABC2D11E21 (1)
Weight, g/mol:	182.065555
ΔH_f, kcal/mol:	-104.9
Dipole, Da:	3.04
IP(EA), eV:	-8.73(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-4,5-difluorophenyl)propanenitrile

Drug info:

PubChemData

Smile

C1COCCC1CN2CCSC[C@@H]2CO

DOS

IR

Vibrations