Geometry & MOs

Info

ID:	57089
PubChem CID:	22395321
Reduced:	NO3H9C10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	413.137556
ΔH_f, kcal/mol:	-125.24
Dipole, Da:	7.25
IP(EA), eV:	-8.5(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-7-anilino-4-(7-methoxy-1,3-benzodioxol-5-yl)-4H-chromene-3-carbonitrile

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCO2)C3C4=CC(=C(C=C4OC(=C3C#N)N)OC)OC

DOS

IR

Vibrations