Geometry & MOs

Info

ID:	332499
PubChem CID:	127250785
Reduced:	FO3N5C21H24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	429.156767
ΔH_f, kcal/mol:	-71.97
Dipole, Da:	4.3
IP(EA), eV:	-9.16(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(1,5-dimethylpyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NN(C=C1C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)F)C

DOS

IR

Vibrations