Geometry & MOs

Info

ID:	332274
PubChem CID:	127250560
Reduced:	FO2N4C25H27 (1)
Stoich.:	AB2C4D25E27 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-57.55
Dipole, Da:	5.77
IP(EA), eV:	-9.09(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(4-methoxyphenyl)pyridin-2-yl]morpholin-4-yl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=NN2)CCC(=O)N3CCOC(C3)C4=CC=CC(=N4)C5=CC(=CC=C5)F

DOS

IR

Vibrations