Geometry & MOs

Info

ID:	224466
PubChem CID:	85343501
Reduced:	NO9C30H41 (1)
Stoich.:	AB9C30D41 (1)
Weight, g/mol:	563.331899
ΔH_f, kcal/mol:	-321.83
Dipole, Da:	6.46
IP(EA), eV:	-8.75(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

16-butan-2-yl-10,14-dimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone

Drug info:

PubChemData

Smile

C1COCCOC2C3C(COC(O3)C4=CC=CC=C4)OC(C2OCCOCCN1CCCO)OC5=CC=CC=C5

DOS

IR

Vibrations