Geometry & MOs

Info

ID:	197561
PubChem CID:	78978522
Reduced:	NO2F3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	310.10842
ΔH_f, kcal/mol:	-216.53
Dipole, Da:	2.89
IP(EA), eV:	-9.56(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-(3-chloroanilino)-2-oxoethyl]-prop-2-enylamino]acetate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations