Geometry & MOs

Info

ID:	126429
PubChem CID:	50964728
Reduced:	FO2N4C17H19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	343.179696
ΔH_f, kcal/mol:	-55.86
Dipole, Da:	4.81
IP(EA), eV:	-9.49(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[4-phenyl-5-(2-pyrazol-1-ylethyl)imidazol-1-yl]methyl]pyridine

Drug info:

PubChemData

Smile

C1COCC1(CNCC(=O)NC2=NC=CN=C2)C3=CC=C(C=C3)F

DOS

IR

Vibrations