Geometry & MOs

Info

ID:	182587
PubChem CID:	76910745
Reduced:	O2N3C9H19 (1)
Stoich.:	A2B3C9D19 (1)
Weight, g/mol:	288.147393
ΔH_f, kcal/mol:	-72.52
Dipole, Da:	3.75
IP(EA), eV:	-8.85(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-[[2-cyanopropyl(methyl)amino]methyl]-4-methoxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CCC(=O)N(CC)CC(C)C(=NO)N

DOS

IR

Vibrations