Geometry & MOs

Info

ID:	162940
PubChem CID:	57580951
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	487.096383
ΔH_f, kcal/mol:	-98.41
Dipole, Da:	4.8
IP(EA), eV:	-8.53(0.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(17-methoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-16-yl) 4-cyanobenzenesulfonate

Drug info:

PubChemData

Smile

COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2)OCO5)C=C1)OCCN

DOS

IR

Vibrations