Geometry & MOs

Info

ID:	89481
PubChem CID:	49962055
Reduced:	ON3H15C20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	308.09094
ΔH_f, kcal/mol:	67.26
Dipole, Da:	6.13
IP(EA), eV:	-8.69(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-diamino-4-(2-nitrophenyl)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3C4=C(C=C(C=C4)N)OC(=C3C#N)N

DOS

IR

Vibrations