Geometry & MOs

Info

ID:	197558
PubChem CID:	78978364
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	291.127072
ΔH_f, kcal/mol:	-103.75
Dipole, Da:	5.92
IP(EA), eV:	-9.62(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]-prop-2-enylamino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=CC=C1)C(=O)C2CC2C

DOS

IR

Vibrations