Geometry & MOs

Info

ID:	415671
PubChem CID:	135088670
Reduced:	ClON4C17H17 (1)
Stoich.:	ABC4D17E17 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	34.72
Dipole, Da:	2.97
IP(EA), eV:	-9.04(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclohex-3-en-1-ylmethyl-[(3-methylimidazol-4-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N2CCC(CC2)C3=NC4=CC=CC=C4O3)Cl

DOS

IR

Vibrations