Geometry & MOs

Info

ID:	375402
PubChem CID:	131500209
Reduced:	N2F3C10H13 (1)
Stoich.:	A2B3C10D13 (1)
Weight, g/mol:	333.91394
ΔH_f, kcal/mol:	-144.67
Dipole, Da:	5.07
IP(EA), eV:	-9.86(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(3,5-dibromo-4-methoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations