Geometry & MOs

Info

ID:	401851
PubChem CID:	135052960
Reduced:	O3C14H14 (1)
Stoich.:	A3B14C14 (1)
Weight, g/mol:	267.089543
ΔH_f, kcal/mol:	-99.31
Dipole, Da:	4.14
IP(EA), eV:	-9.08(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)-3-nitro-4H-chromene

Drug info:

PubChemData

Smile

C1CCC2(C1)/C(=C\O)/C(=O)C3=CC=CC=C3O2

DOS

IR

Vibrations