Geometry & MOs

Info

ID:	170217
PubChem CID:	75208790
Reduced:	INOH16C17 (1)
Stoich.:	ABCD16E17 (1)
Weight, g/mol:	344.209993
ΔH_f, kcal/mol:	17.26
Dipole, Da:	3.69
IP(EA), eV:	-8.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C=CC(=O)NC2=CC=CC=C2I)C

DOS

IR

Vibrations