Geometry & MOs

Info

ID:	332578
PubChem CID:	127250864
Reduced:	ClO3N5C21H22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	417.161246
ΔH_f, kcal/mol:	-36.94
Dipole, Da:	4.41
IP(EA), eV:	-8.99(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-pyrazol-1-ylethanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CN=C(C=C2)N)C3=NNC(=C3)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations