Geometry & MOs

Info

ID:	7441
PubChem CID:	72703
Reduced:	ClNO4H16C19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	357.076786
ΔH_f, kcal/mol:	-98.62
Dipole, Da:	3.19
IP(EA), eV:	-8.04(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

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-ol;chloride

Drug info:

PubChemData

Smile

COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)O.[Cl-]

DOS

IR

Vibrations