Geometry & MOs

Info

ID:	419257
PubChem CID:	135107832
Reduced:	ClON3C21H26 (1)
Stoich.:	ABC3D21E26 (1)
Weight, g/mol:	363.194677
ΔH_f, kcal/mol:	-2.88
Dipole, Da:	4.31
IP(EA), eV:	-8.84(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-4-one

Drug info:

PubChemData

Smile

C1CN(CCC1N[C@H]2COC[C@H]2CC3=CC=NC=C3)C4=CC=CC=C4Cl

DOS

IR

Vibrations