Geometry & MOs

Info

ID:	421699
PubChem CID:	135116442
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	369.205242
ΔH_f, kcal/mol:	-69.59
Dipole, Da:	4.31
IP(EA), eV:	-9.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@H](CO1)NC(=O)CCCN)CC2=CC=NC=C2

DOS

IR

Vibrations