Geometry & MOs

Info

ID:	436728
PubChem CID:	135208222
Reduced:	N2O2C29H46 (1)
Stoich.:	A2B2C29D46 (1)
Weight, g/mol:	486.321943
ΔH_f, kcal/mol:	-114.54
Dipole, Da:	4.97
IP(EA), eV:	-8.5(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

20,21,25-trimethyl-5,7,14,17,21,25,27,33-octazapentacyclo[24.2.2.12,6.18,12.114,18]tritriaconta-1(28),2(33),3,5,8,10,12(32),26,29-nonaene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(=O)N(C2CCCCC2)C3CC4(CCCCCCCC4)CCN3)C

DOS

IR

Vibrations