Geometry & MOs

Info

ID:	419122
PubChem CID:	135107541
Reduced:	OS2N3C16H23 (1)
Stoich.:	AB2C3D16E23 (1)
Weight, g/mol:	327.158292
ΔH_f, kcal/mol:	10.9
Dipole, Da:	3.43
IP(EA), eV:	-9.14(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=C(SN=N1)CN2CCC(CC2)C(C3=CC=CS3)O

DOS

IR

Vibrations