Geometry & MOs

Info

ID:	165366
PubChem CID:	74540476
Reduced:	NC12H13 (2)
Stoich.:	AB12C13 (2)
Weight, g/mol:	370.112899
ΔH_f, kcal/mol:	88.55
Dipole, Da:	2.46
IP(EA), eV:	-6.92(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)[NH+]=CC2=CC=C(C=C2)C=[NH+]C(C)C3=CC=CC=C3

DOS

IR

Vibrations