Geometry & MOs

Info

ID:	261451
PubChem CID:	103234565
Reduced:	ClNO2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	214.168128
ΔH_f, kcal/mol:	-56.36
Dipole, Da:	5.15
IP(EA), eV:	-8.62(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[3-(diethylamino)propylamino]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)CNC2=CC=CC=C2Cl)C(=O)O

DOS

IR

Vibrations