Geometry & MOs

Info

ID:	207067
PubChem CID:	80342109
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	233.152812
ΔH_f, kcal/mol:	8.05
Dipole, Da:	4.54
IP(EA), eV:	-8.65(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-[(1S)-1-hydroxyethyl]pyridin-2-yl]-propan-2-ylamino]propanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(C)C2=NC=CC(=C2)C(=O)C

DOS

IR

Vibrations