Geometry & MOs

Info

ID:	332103
PubChem CID:	127250389
Reduced:	FO3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	446.231791
ΔH_f, kcal/mol:	-58.08
Dipole, Da:	4.2
IP(EA), eV:	-9.33(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-[2-[5-(3-methoxyphenyl)pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)COC2=CC=C(C=C2)F)C3=NC=C(C=C3)C4=CN=CN=C4

DOS

IR

Vibrations