Geometry & MOs

Info

ID:	14690
PubChem CID:	417935
Reduced:	N2C18H31 (1)
Stoich.:	A2B18C31 (1)
Weight, g/mol:	275.248724
ΔH_f, kcal/mol:	-25.93
Dipole, Da:	2.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.935722
Charge, e:	1

Chem-info

IUPAC name:

1-(5,5-dimethyl-3-piperidin-1-ium-1-ylidenecyclohexen-1-yl)piperidine

Drug info:

PubChemData

Smile

CC1(CC(=CC(=[N+]2CCCCC2)C1)N3CCCCC3)C

DOS

IR

Vibrations