Geometry & MOs

Info

ID:	47716
PubChem CID:	10534896
Reduced:	NO2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	155.094629
ΔH_f, kcal/mol:	-56.33
Dipole, Da:	5.37
IP(EA), eV:	-9.8(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2Z,4E)-3-amino-2-methylhexa-2,4-dienoate

Drug info:

PubChemData

Smile

CC(C)CCC1=CC(=O)NO1

DOS

IR

Vibrations