Geometry & MOs

Info

ID:	261549
PubChem CID:	103239849
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	235.120843
ΔH_f, kcal/mol:	-79.18
Dipole, Da:	0.35
IP(EA), eV:	-9.52(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(3-ethoxyphenyl)methylamino]methyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCCCC(C(=O)OC)NCCC1=CN=CC=C1

DOS

IR

Vibrations