Geometry & MOs

Info

ID:	332273
PubChem CID:	127250559
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	434.211804
ΔH_f, kcal/mol:	10.46
Dipole, Da:	3.49
IP(EA), eV:	-8.64(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(3-fluorophenyl)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)C4=CC=C(C=C4)OC

DOS

IR

Vibrations