Geometry & MOs

Info

ID:	327756
PubChem CID:	126690981
Reduced:	O3C22H26 (1)
Stoich.:	A3B22C26 (1)
Weight, g/mol:	231.074287
ΔH_f, kcal/mol:	-114.76
Dipole, Da:	6.29
IP(EA), eV:	-9.39(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-formamido-2-[(Z)-3-hydroxy-2-methylbut-2-enyl]propanedioic acid

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)C(=C(C)C)C(=O)O)C(C)(C2=CC=CC=C2)O

DOS

IR

Vibrations