Geometry & MOs

Info

ID:	401893
PubChem CID:	135053244
Reduced:	NO5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	283.084458
ΔH_f, kcal/mol:	-108.62
Dipole, Da:	2.43
IP(EA), eV:	-10.41(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)C(C(=O)C)C(=O)C

DOS

IR

Vibrations