Geometry & MOs

Info

ID:	126004
PubChem CID:	50948166
Reduced:	O3N4C15H20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	358.179361
ΔH_f, kcal/mol:	-24.52
Dipole, Da:	4.56
IP(EA), eV:	-8.5(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-phenyl-3-(4-pyrazol-1-ylbutan-2-yl)imidazol-4-yl]phenol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CNCCOC2=NON=C2C)C

DOS

IR

Vibrations