Geometry & MOs

Info

ID:	331161
PubChem CID:	127248568
Reduced:	FO2N4C26H27 (1)
Stoich.:	AB2C4D26E27 (1)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	-8.15
Dipole, Da:	3.8
IP(EA), eV:	-8.69(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethylbenzimidazol-2-yl)methyl]-2-[1-methyl-5-(2-phenoxyethyl)pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2CN(CCO2)CC3=CC=CC4=C3N=CC=C4)CCOC5=CC=CC=C5F

DOS

IR

Vibrations