Geometry & MOs

Info

ID:	89448
PubChem CID:	49961811
Reduced:	NO6H23C24 (1)
Stoich.:	AB6C23D24 (1)
Weight, g/mol:	382.062343
ΔH_f, kcal/mol:	-165.11
Dipole, Da:	3.15
IP(EA), eV:	-8.42(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-amino-1-(5-nitrothiophen-2-yl)-1H-benzo[f]chromene-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C2C3=C(C=CC4=CC=CC=C43)OC(=C2C(=O)OC)N

DOS

IR

Vibrations