Geometry & MOs

Info

ID:	261555
PubChem CID:	103240148
Reduced:	N2O2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-44.5
Dipole, Da:	3.84
IP(EA), eV:	-9.55(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C#N)CNCCCCC(=O)O

DOS

IR

Vibrations