Geometry & MOs

Info

ID:	442325
PubChem CID:	135251361
Reduced:	ON2C8H17 (1)
Stoich.:	AB2C8D17 (1)
Weight, g/mol:	114.076629
ΔH_f, kcal/mol:	-39.19
Dipole, Da:	4.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756892
Charge, e:	1

Chem-info

IUPAC name:

(115N)2,3,4,5-tetrahydropyridin-1-ium-1-carbaldehyde

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations