Geometry & MOs

Info

ID:	22213
PubChem CID:	596304
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-69.87
Dipole, Da:	3.16
IP(EA), eV:	-8.62(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(3,4-dimethylphenoxy)ethyl]-3-(furan-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)OCCNC(=O)C=CC2=CC=CO2)C

DOS

IR

Vibrations