Geometry & MOs

Info

ID:	176970
PubChem CID:	76119407
Reduced:	ON2C30H52 (1)
Stoich.:	AB2C30D52 (1)
Weight, g/mol:	384.339216
ΔH_f, kcal/mol:	-115.4
Dipole, Da:	2.02
IP(EA), eV:	-8.33(2.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,9,13-trimethyl-6-(3-methylbutyl)-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene

Drug info:

PubChemData

Smile

CC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCCCC5)C)C)N6CCCCC6

DOS

IR

Vibrations