Geometry & MOs

Info

ID:	332574
PubChem CID:	127250860
Reduced:	F2O2N5C19H21 (1)
Stoich.:	A2B2C5D19E21 (1)
Weight, g/mol:	395.232125
ΔH_f, kcal/mol:	-78.55
Dipole, Da:	2.87
IP(EA), eV:	-9.04(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-imidazol-2-ylmethyl)-2-[5-[2-(4-propan-2-ylphenoxy)ethyl]-1H-pyrazol-3-yl]morpholine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=NC=CN2)C3=NNC(=C3)CCOC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations