Geometry & MOs

Info

ID:	89437
PubChem CID:	49961693
Reduced:	N3O4H15C20 (1)
Stoich.:	A3B4C15D20 (1)
Weight, g/mol:	302.072513
ΔH_f, kcal/mol:	-9.72
Dipole, Da:	7.11
IP(EA), eV:	-8.98(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,7-diamino-4-thiophen-2-yl-4H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C(C(=C(O3)N)C(=O)N)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations