Geometry & MOs

Info

ID:	22031
PubChem CID:	595827
Reduced:	NO6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	397.152537
ΔH_f, kcal/mol:	-178.29
Dipole, Da:	2.81
IP(EA), eV:	-8.36(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,24-dimethoxy-6,8,20,22-tetraoxa-14-azahexacyclo[12.11.0.03,12.04,9.017,25.019,23]pentacosa-3,9,11,17,19(23),24-hexaene

Drug info:

PubChemData

Smile

COC1=C2C(=C3CC4C5=C(C6=C(C=C5CCN4CC3=C1)OCO6)OC)COCO2

DOS

IR

Vibrations