Geometry & MOs

Info

ID:	331814
PubChem CID:	127250098
Reduced:	O2F3N4H21C22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	444.252526
ΔH_f, kcal/mol:	-146.92
Dipole, Da:	3.52
IP(EA), eV:	-9.41(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl-[2-[6-[(2-methylphenyl)methyl]pyridin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CN2C=CC=N2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations