Geometry & MOs

Info

ID:	331794
PubChem CID:	127250078
Reduced:	OF3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	448.227454
ΔH_f, kcal/mol:	-116.03
Dipole, Da:	1.37
IP(EA), eV:	-8.73(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations