Geometry & MOs

Info

ID:	264376
PubChem CID:	103458196
Reduced:	OC8H11 (2)
Stoich.:	AB8C11 (2)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-88.11
Dipole, Da:	3.37
IP(EA), eV:	-9.63(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hydroxy-3-(1-methylimidazol-2-yl)-1-phenylpropan-2-one

Drug info:

PubChemData

Smile

CCC1CCC(CC1)C(=O)C(C2=CC=CC=C2)O

DOS

IR

Vibrations