Geometry & MOs

Info

ID:	331189
PubChem CID:	127248596
Reduced:	ClO3N5C21H24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	431.176896
ΔH_f, kcal/mol:	-26.88
Dipole, Da:	3.75
IP(EA), eV:	-9.12(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3,4-difluorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)N2CCOC(C2)C3=NN(C(=C3)CCOC4=CC(=CC=C4)Cl)C

DOS

IR

Vibrations