Geometry & MOs

Info

ID:	268063
PubChem CID:	103597614
Reduced:	NSO2C18H19 (1)
Stoich.:	ABC2D18E19 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	0.92
Dipole, Da:	2.98
IP(EA), eV:	-9.0(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-(3-methoxyphenyl)-N-(2-methylprop-2-enyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C=CC(=O)N(CC=C)CC2=CC=CS2

DOS

IR

Vibrations