Geometry & MOs

Info

ID:	304192
PubChem CID:	124498458
Reduced:	SN2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	57.66
Dipole, Da:	3.61
IP(EA), eV:	-8.48(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(6-methoxy-5-methylpyridin-3-yl)pyrrolidine-1-carbaldehyde

Drug info:

PubChemData

Smile

CN1CCC[C@H]1C2=C(N=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations