Geometry & MOs

Info

ID:	194789
PubChem CID:	78589789
Reduced:	N2O3C15H18 (1)
Stoich.:	A2B3C15D18 (1)
Weight, g/mol:	303.121906
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	4.64
IP(EA), eV:	-9.28(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-N-(3-ethoxypropyl)-3-(2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C(=CC1=CC(=CC=C1)O)C#N

DOS

IR

Vibrations