Geometry & MOs

Info

ID:	304213
PubChem CID:	124499050
Reduced:	SN2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	281.152812
ΔH_f, kcal/mol:	38.96
Dipole, Da:	8.02
IP(EA), eV:	-8.15(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(6-amino-5-methylpyridin-3-yl)pyrrolidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=S)NC=C1[C@@H]2CCCCN2CC3=CC=CC=C3

DOS

IR

Vibrations