Geometry & MOs

Info

ID:	77341
PubChem CID:	48426144
Reduced:	SN3O4C16H25 (1)
Stoich.:	AB3C4D16E25 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-168.58
Dipole, Da:	6.12
IP(EA), eV:	-9.67(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-cyanophenyl)-N-[2-(diethylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCNS(=O)(=O)C1=CC(=C(C=C1)C)C(=O)NCC(=O)N(CC)CC

DOS

IR

Vibrations