Geometry & MOs

Info

ID:	332410
PubChem CID:	127250696
Reduced:	FO2N4C21H21 (1)
Stoich.:	AB2C4D21E21 (1)
Weight, g/mol:	402.216809
ΔH_f, kcal/mol:	-31.73
Dipole, Da:	3.55
IP(EA), eV:	-8.9(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylbenzimidazol-2-yl)methyl]-2-[6-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC(=CC=C2)C3CN(CCO3)C(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations