Geometry & MOs

Info

ID:	280811
PubChem CID:	103851380
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	244.082347
ΔH_f, kcal/mol:	-21.73
Dipole, Da:	3.56
IP(EA), eV:	-8.46(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

C[C@H](CO)NCC1=CN=C(C=C1)N(C)C

DOS

IR

Vibrations