Geometry & MOs

Info

ID:	141198
PubChem CID:	52836358
Reduced:	ON2C16H29 (1)
Stoich.:	AB2C16D29 (1)
Weight, g/mol:	264.220164
ΔH_f, kcal/mol:	-43.1
Dipole, Da:	3.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752422
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S)-N-[2-(1-methylpiperidin-4-yl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C[NH+]1CCC(CC1)CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3

DOS

IR

Vibrations