Geometry & MOs

Info

ID:	77182
PubChem CID:	48425895
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-123.43
Dipole, Da:	4.91
IP(EA), eV:	-8.84(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-[2-(diethylamino)-2-oxoethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)C

DOS

IR

Vibrations