Geometry & MOs

Info

ID:	130527
PubChem CID:	51091092
Reduced:	FNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-165.37
Dipole, Da:	2.39
IP(EA), eV:	-8.89(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylmorpholin-4-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1(COCCN1C(=O)CCC2=CC(=C(C=C2)OC)F)C

DOS

IR

Vibrations