Geometry & MOs

Info

ID:	45795
PubChem CID:	10517676
Reduced:	NO3H13C18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	291.125929
ΔH_f, kcal/mol:	-35.66
Dipole, Da:	0.9
IP(EA), eV:	-8.55(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-2,2-dimethylchromene-6-carbonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(N1)C=CC(=C2)C3=CC4=CC=CC=C4O3

DOS

IR

Vibrations