Geometry & MOs

Info

ID:	130967
PubChem CID:	51136344
Reduced:	NO2C13H23 (1)
Stoich.:	AB2C13D23 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-104.11
Dipole, Da:	6.64
IP(EA), eV:	-9.37(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[[(2E,4E)-2-methylhexa-2,4-dienoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(CO)NC(=O)/C(=C/C=C/C)/C

DOS

IR

Vibrations