Geometry & MOs

Info

ID:	403215
PubChem CID:	135059220
Reduced:	NO3C16H17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	249.100108
ΔH_f, kcal/mol:	-83.24
Dipole, Da:	6.35
IP(EA), eV:	-8.4(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-(2-acetamido-3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC=C1C2=C(C=CC=C2OC)OC

DOS

IR

Vibrations