Geometry & MOs

Info

ID:	261556
PubChem CID:	103240165
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	-14.15
Dipole, Da:	9.72
IP(EA), eV:	-10.26(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[1-(4-cyanophenyl)ethylamino]propanamide

Drug info:

PubChemData

Smile

C=C(CNCC1=CC(=CC=C1)C#N)C(=O)O

DOS

IR

Vibrations