Geometry & MOs

Info

ID:	57104
PubChem CID:	22395341
Reduced:	NOH9C11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	335.126991
ΔH_f, kcal/mol:	15.68
Dipole, Da:	1.67
IP(EA), eV:	-8.1(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-3-cyano-7-(dimethylamino)-4H-chromen-4-yl]benzoic acid

Drug info:

PubChemData

Smile

C1C=COC2=C1C=CC3=C2C=CN3

DOS

IR

Vibrations