Geometry & MOs

Info

ID:	282788
PubChem CID:	103938836
Reduced:	ON2F3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	267.137162
ΔH_f, kcal/mol:	-196.55
Dipole, Da:	1.86
IP(EA), eV:	-8.64(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-[(1R)-1-hydroxypropyl]pyridin-3-yl]-methylamino]benzonitrile

Drug info:

PubChemData

Smile

CC[C@@H](C1=NC=C(C=C1)N2CCCC(C2)C(F)(F)F)O

DOS

IR

Vibrations