Geometry & MOs

Info

ID:	165450
PubChem CID:	74552024
Reduced:	ON2C16H29 (1)
Stoich.:	AB2C16D29 (1)
Weight, g/mol:	297.233074
ΔH_f, kcal/mol:	-10.47
Dipole, Da:	2.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752245
Charge, e:	1

Chem-info

IUPAC name:

1-(2-bicyclo[2.2.1]heptanyl)-4-(3-phenylprop-2-enyl)piperazin-1-ium

Drug info:

PubChemData

Smile

CC(CCC1=CC=C(C=C1)OC)N(C)CC[NH+](C)C

DOS

IR

Vibrations