Geometry & MOs

Info

ID:	332028
PubChem CID:	127250314
Reduced:	SO2N6C19H20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	394.180504
ΔH_f, kcal/mol:	11.16
Dipole, Da:	3.97
IP(EA), eV:	-9.14(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(2-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CN=C(N=C4)N

DOS

IR

Vibrations