Geometry & MOs

Info

ID:	366699
PubChem CID:	127320228
Reduced:	NOC11H21 (1)
Stoich.:	ABC11D21 (1)
Weight, g/mol:	240.183778
ΔH_f, kcal/mol:	-75.66
Dipole, Da:	1.47
IP(EA), eV:	-8.87(2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3R)-3-hydroxypyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CC[C@H](C2)O

DOS

IR

Vibrations