Geometry & MOs

Info

ID:	208504
PubChem CID:	80538447
Reduced:	NCl2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-137.07
Dipole, Da:	4.11
IP(EA), eV:	-9.86(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dihydro-2H-chromene-4-carbonylamino)-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=C(C=C(C=C1)Cl)Cl)C(=O)O

DOS

IR

Vibrations