Geometry & MOs

Info

ID:	1613
PubChem CID:	4772
Reduced:	ON3C17H22 (1)
Stoich.:	AB3C17D22 (1)
Weight, g/mol:	284.176287
ΔH_f, kcal/mol:	10.35
Dipole, Da:	4.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763692
Charge, e:	1

Chem-info

IUPAC name:

3-[4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl-(4-methylcyclohexa-1,3-dien-1-yl)amino]phenol

Drug info:

PubChemData

Smile

CC1=CC=C(CC1)N(CC2=[NH+]CCN2)C3=CC(=CC=C3)O

DOS

IR

Vibrations