Geometry & MOs

Info

ID:	60549
PubChem CID:	26697173
Reduced:	SN2O3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	283.168462
ΔH_f, kcal/mol:	-112.47
Dipole, Da:	6.55
IP(EA), eV:	-8.68(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-ethylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CCCNS(=O)(=O)C2=C(C=CC(=C2)C)C

DOS

IR

Vibrations