Geometry & MOs

Info

ID:	149842
PubChem CID:	53789521
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	306.089209
ΔH_f, kcal/mol:	-21.71
Dipole, Da:	4.6
IP(EA), eV:	-9.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-oxo-2-(2-phenylethenyl)chromen-8-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=NC(=NC(=N1)N(C2=CC=CC=C2)C(=O)O)C

DOS

IR

Vibrations