Geometry & MOs

Info

ID:	442041
PubChem CID:	135248335
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	298.087291
ΔH_f, kcal/mol:	57.01
Dipole, Da:	3.36
IP(EA), eV:	-9.07(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(4-chlorophenyl)methyl]imidazol-4-yl]cyclohepta-1,3,5-trien-1-ol

Drug info:

PubChemData

Smile

C/C=C\C=C/C(=C)C1=NC=CN1CC(/C(=C/C=C\C=C)/C)O

DOS

IR

Vibrations