Geometry & MOs

Info

ID:	372292
PubChem CID:	131295621
Reduced:	NOF2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	270.00039
ΔH_f, kcal/mol:	-134.4
Dipole, Da:	2.09
IP(EA), eV:	-9.52(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-(5-bromo-2,3-dimethoxyphenyl)acetonitrile

Drug info:

PubChemData

Smile

CC(C)(CO)[C@H](C1=C(C=CC(=C1)F)F)N

DOS

IR

Vibrations