Geometry & MOs

Info

ID:	202915
PubChem CID:	79744657
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	244.157563
ΔH_f, kcal/mol:	-44.02
Dipole, Da:	1.83
IP(EA), eV:	-9.08(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-2-(1-ethylimidazol-2-yl)ethanol

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C(=O)CC2=NC=CN2C

DOS

IR

Vibrations