Geometry & MOs

Info

ID:	89453
PubChem CID:	49961838
Reduced:	N2O3H16C19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	375.110673
ΔH_f, kcal/mol:	-50.56
Dipole, Da:	3.39
IP(EA), eV:	-8.52(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=C(OC2=C(C1C3=CC=CN3)C4=CC=CC=C4C=C2)N

DOS

IR

Vibrations