Geometry & MOs

Info

ID:	319178
PubChem CID:	126655268
Reduced:	F2O4N5C25H25 (1)
Stoich.:	A2B4C5D25E25 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-169.42
Dipole, Da:	1.53
IP(EA), eV:	-8.69(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-benzylpyrazol-3-yl)morpholine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)F)N4C=CC(=N4)N5CCOCC5

DOS

IR

Vibrations