Geometry & MOs

Info

ID:	129746
PubChem CID:	51073710
Reduced:	NSO3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	231.137162
ΔH_f, kcal/mol:	-94.9
Dipole, Da:	1.9
IP(EA), eV:	-9.57(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(1-methylpyrazol-4-yl)-N,N-bis(prop-2-enyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C(=O)N2CCOCC2

DOS

IR

Vibrations