Geometry & MOs

Info

ID:	332601
PubChem CID:	127250887
Reduced:	ClO4N5C21H24 (1)
Stoich.:	AB4C5D21E24 (1)
Weight, g/mol:	449.186318
ΔH_f, kcal/mol:	-61.43
Dipole, Da:	7.68
IP(EA), eV:	-9.42(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(4-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(5-methyl-1H-indazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations