Geometry & MOs

Info

ID:	194547
PubChem CID:	78553489
Reduced:	NO3H17C20 (1)
Stoich.:	AB3C17D20 (1)
Weight, g/mol:	360.087685
ΔH_f, kcal/mol:	-29.76
Dipole, Da:	4.58
IP(EA), eV:	-9.06(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(2-chloropyridin-3-yl)amino]-2-oxoethyl] 3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C=CC(=O)OCC2=NC=C(O2)C3=CC=CC=C3

DOS

IR

Vibrations