Geometry & MOs

Info

ID:	193687
PubChem CID:	78424264
Reduced:	N2O2C13H19 (1)
Stoich.:	A2B2C13D19 (1)
Weight, g/mol:	261.196688
ΔH_f, kcal/mol:	7.17
Dipole, Da:	13.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.950238
Charge, e:	1

Chem-info

IUPAC name:

1-[3-[4-(dimethylamino)phenyl]prop-2-enyl]piperidin-1-ium-4-ol

Drug info:

PubChemData

Smile

CC1CCC[NH+](C1)CC2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations