Geometry & MOs

Info

ID:	401873
PubChem CID:	135053139
Reduced:	ON2C18H20 (1)
Stoich.:	AB2C18D20 (1)
Weight, g/mol:	277.073893
ΔH_f, kcal/mol:	5.36
Dipole, Da:	3.54
IP(EA), eV:	-8.75(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxyphenyl)-4-oxochromene-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C(=O)C=C(NC1=CC=CC=C1)NC2=CC=CC=C2

DOS

IR

Vibrations