Geometry & MOs

Info

ID:	434848
PubChem CID:	135175821
Reduced:	NOC9H17 (1)
Stoich.:	ABC9D17 (1)
Weight, g/mol:	185.105193
ΔH_f, kcal/mol:	-43.59
Dipole, Da:	3.11
IP(EA), eV:	-9.18(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(E)-5-methyl-4-oxohex-2-enyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCNC/C=C/C(=O)C(C)C

DOS

IR

Vibrations