Geometry & MOs

Info

ID:	155564
PubChem CID:	56365902
Reduced:	FO2N5C26H30 (1)
Stoich.:	AB2C5D26E30 (1)
Weight, g/mol:	425.191483
ΔH_f, kcal/mol:	-65.31
Dipole, Da:	2.18
IP(EA), eV:	-8.03(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-benzyl-3-phenylpyrazol-4-yl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCC(C(=O)NC1=CC(=CC=C1)N2CCCC2)NC(=O)C3=C(N(N=C3)C4=CC=CC=C4F)C

DOS

IR

Vibrations