Geometry & MOs

Info

ID:	165762
PubChem CID:	74594074
Reduced:	ON2F3H13C16 (1)
Stoich.:	AB2C3D13E16 (1)
Weight, g/mol:	424.118985
ΔH_f, kcal/mol:	-134.41
Dipole, Da:	1.22
IP(EA), eV:	-10.02(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloro-4H-1,3-benzodioxin-8-yl)methyl 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=CN=C1)CNC(=O)C=CC2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations