Geometry & MOs

Info

ID:	419178
PubChem CID:	135107679
Reduced:	OSN4C18H26 (1)
Stoich.:	ABC4D18E26 (1)
Weight, g/mol:	367.225977
ΔH_f, kcal/mol:	-5.37
Dipole, Da:	3.34
IP(EA), eV:	-8.73(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-2-(4-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=CSC3=C2CCCC3

DOS

IR

Vibrations