Geometry & MOs

Info

ID:	193679
PubChem CID:	78422878
Reduced:	O4C16H17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	305.126323
ΔH_f, kcal/mol:	-103.18
Dipole, Da:	4.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.789713
Charge, e:	0

Chem-info

IUPAC name:

2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylazaniumyl]-3-methylbutanoate

Drug info:

PubChemData

Smile

C1CC2CCC1CC2OC(=O)C3=CC=CC=C3C(=O)[O-]

DOS

IR

Vibrations