Geometry & MOs

Info

ID:	312308
PubChem CID:	126604224
Reduced:	NOC8H8 (2)
Stoich.:	ABC8D8 (2)
Weight, g/mol:	297.100108
ΔH_f, kcal/mol:	32.57
Dipole, Da:	9.52
IP(EA), eV:	-8.67(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[2-methylprop-2-enyl(prop-2-ynyl)amino]-2-oxochromene-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCN(CC#C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)O

DOS

IR

Vibrations