Geometry & MOs

Info

ID:	417559
PubChem CID:	135102042
Reduced:	ON4C21H30 (1)
Stoich.:	AB4C21D30 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	7.92
Dipole, Da:	1.94
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC1=NN(C=C1CN2CC[C@]3(CCCN([C@@H]3C2)C)CO)C4=CC=CC=C4

DOS

IR

Vibrations