Geometry & MOs

Info

ID:	373649
PubChem CID:	131318269
Reduced:	BrN2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	216.051047
ΔH_f, kcal/mol:	-0.11
Dipole, Da:	2.64
IP(EA), eV:	-8.25(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-amino-3-(difluoromethoxy)-2-fluorophenyl]acetonitrile

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)N)N)Br

DOS

IR

Vibrations