Geometry & MOs

Info

ID:	42394
PubChem CID:	8149508
Reduced:	N2O2C21H25 (1)
Stoich.:	A2B2C21D25 (1)
Weight, g/mol:	394.165448
ΔH_f, kcal/mol:	-31.16
Dipole, Da:	3.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.190029
Charge, e:	1

Chem-info

IUPAC name:

2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-(4-methoxyphenyl)indene-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=[NH+]2)NCCC3=CC(=C(C=C3)OC)OC)C

DOS

IR

Vibrations