Geometry & MOs

Info

ID:	422383
PubChem CID:	135117726
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	367.262363
ΔH_f, kcal/mol:	-51.58
Dipole, Da:	7.05
IP(EA), eV:	-8.74(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C)C)C(=O)NCC(C)OC2=CN=CC=C2

DOS

IR

Vibrations