Geometry & MOs

Info

ID:	435578
PubChem CID:	135191857
Reduced:	FON2C12H12 (2)
Stoich.:	ABC2D12E12 (2)
Weight, g/mol:	218.105528
ΔH_f, kcal/mol:	-99.47
Dipole, Da:	3.67
IP(EA), eV:	-9.34(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(4-methylphenyl)methyl]imidazol-4-yl]methanediol

Drug info:

PubChemData

Smile

C1CC/C(=N\N=C(/C1)\CC2=CC=CC=C2)/C(=O)N[C@H]3CCC4=C(C(=CC(=C4)F)F)NC3=O

DOS

IR

Vibrations