Geometry & MOs

Info

ID:	372520
PubChem CID:	131299119
Reduced:	BrNSO3H8C10 (1)
Stoich.:	ABCD3E8F10 (1)
Weight, g/mol:	212.076119
ΔH_f, kcal/mol:	-0.87
Dipole, Da:	3.87
IP(EA), eV:	-8.79(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4,4-difluoro-4-(3-hydroxyphenyl)butanenitrile

Drug info:

PubChemData

Smile

COC1=CSC2=CC(=CC(=C21)[N+](=O)[O-])CBr

DOS

IR

Vibrations