Geometry & MOs

Info

ID:	442338
PubChem CID:	135251419
Reduced:	ON2C9H19 (1)
Stoich.:	AB2C9D19 (1)
Weight, g/mol:	128.092279
ΔH_f, kcal/mol:	-53.69
Dipole, Da:	2.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756783
Charge, e:	1

Chem-info

IUPAC name:

1-((115N)2,3,4,5-tetrahydropyridin-1-ium-1-yl)(113C)ethanone

Drug info:

PubChemData

Smile

C[13C](=O)[15NH]CCCCC=[N+](C)C

DOS

IR

Vibrations