Geometry & MOs

Info

ID:	126393
PubChem CID:	50963427
Reduced:	ClFON4H14C15 (1)
Stoich.:	ABCD4E14F15 (1)
Weight, g/mol:	330.124739
ΔH_f, kcal/mol:	2.95
Dipole, Da:	3.08
IP(EA), eV:	-9.21(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-phenylimidazol-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NCC2=CC=C(O2)C3=C(C=C(C=C3)Cl)F

DOS

IR

Vibrations