Geometry & MOs

Info

ID:	46269
PubChem CID:	10523614
Reduced:	ClN4H21C22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	375.95825
ΔH_f, kcal/mol:	71.5
Dipole, Da:	5.77
IP(EA), eV:	-8.22(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(3,5-dihydroxyphenyl)-4-oxochromene-8-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N(C2=NC(=NC(=C12)N)C3=CC=C(C=C3)Cl)[C@H](C)C4=CC=CC=C4)C

DOS

IR

Vibrations