Geometry & MOs

Info

ID:	415973
PubChem CID:	135088978
Reduced:	O3N4C12H16 (1)
Stoich.:	A3B4C12D16 (1)
Weight, g/mol:	363.158292
ΔH_f, kcal/mol:	-40.91
Dipole, Da:	6.33
IP(EA), eV:	-9.3(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N(CCO)CC2=CN=CN2C

DOS

IR

Vibrations