Geometry & MOs

Info

ID:	188123
PubChem CID:	77669833
Reduced:	N2O2F3C17H17 (1)
Stoich.:	A2B2C3D17E17 (1)
Weight, g/mol:	472.211055
ΔH_f, kcal/mol:	-190.92
Dipole, Da:	4.86
IP(EA), eV:	-9.27(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C=CC(=O)OCC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations