Geometry & MOs

Info

ID:	162949
PubChem CID:	57580983
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	392.149798
ΔH_f, kcal/mol:	-105.94
Dipole, Da:	0.87
IP(EA), eV:	-8.06(0.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(16,17-dimethoxy-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-14-yl)propan-2-one

Drug info:

PubChemData

Smile

COC1=C(C2CN3CCC4=CC(=C(C=C4[C@H]3CC2C=C1)OC)OC)OC

DOS

IR

Vibrations