Geometry & MOs

Info

ID:	25790
PubChem CID:	630555
Reduced:	ClO4C44H71 (1)
Stoich.:	AB4C44D71 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-259.46
Dipole, Da:	1.7
IP(EA), eV:	-8.67(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]-5'-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=C(C=C(C=C1OC(=O)CCCCCCCCCCCCCCC2=CC(=C(C=C2)OC)Cl)CCCCC)OC

DOS

IR

Vibrations