Geometry & MOs

Info

ID:	332529
PubChem CID:	127250815
Reduced:	ClO2N5C20H24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	403.181981
ΔH_f, kcal/mol:	16.31
Dipole, Da:	3.26
IP(EA), eV:	-8.82(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(1-methylpyrazol-4-yl)methyl]morpholine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations