Geometry & MOs

Info

ID:	175562
PubChem CID:	75921463
Reduced:	FN2O4H27C28 (1)
Stoich.:	AB2C4D27E28 (1)
Weight, g/mol:	286.168128
ΔH_f, kcal/mol:	-114.2
Dipole, Da:	4.41
IP(EA), eV:	-8.91(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-3-(3,5-dimethylphenyl)-N-(3-ethoxypropyl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=C(O2)C(=O)NCC(C3=CC(=CC=C3)F)N4CCOCC4)C5=CC=CC=C5

DOS

IR

Vibrations