Geometry & MOs

Info

ID:	331969
PubChem CID:	127250255
Reduced:	O2F3N4H21C22 (1)
Stoich.:	A2B3C4D21E22 (1)
Weight, g/mol:	448.227454
ΔH_f, kcal/mol:	-146.13
Dipole, Da:	1.65
IP(EA), eV:	-9.39(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[(2-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-3-(4,5,6,7-tetrahydroindazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)CN2C=CC=N2)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations