Geometry & MOs

Info

ID:	375438
PubChem CID:	131529693
Reduced:	FNOC13H18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	277.96665
ΔH_f, kcal/mol:	-89.56
Dipole, Da:	2.05
IP(EA), eV:	-9.01(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-[3-bromo-5-(trifluoromethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)C(C2CCCC2)N)O)F

DOS

IR

Vibrations