Geometry & MOs

Info

ID:	419069
PubChem CID:	135107420
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	339.158292
ΔH_f, kcal/mol:	-9.19
Dipole, Da:	3.09
IP(EA), eV:	-9.51(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-carbamoyl-5,6-dimethylpyridin-2-yl)-3-phenylpyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CN2C[C@H]([C@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations