Geometry & MOs

Info

ID:	194788
PubChem CID:	78589788
Reduced:	N3O5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-39.19
Dipole, Da:	8.74
IP(EA), eV:	-9.46(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C(=CC1=CC=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])C#N

DOS

IR

Vibrations