Geometry & MOs

Info

ID:	168980
PubChem CID:	75049154
Reduced:	NO5C27H35 (1)
Stoich.:	AB5C27D35 (1)
Weight, g/mol:	467.267173
ΔH_f, kcal/mol:	-196.02
Dipole, Da:	2.9
IP(EA), eV:	-9.54(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-benzoyloxy-12-hydroxyimino-2,6,13-trimethyltetracyclo[11.2.1.01,10.02,7]hexadecane-6-carboxylate

Drug info:

PubChemData

Smile

CC12CCC3(C1)C(CC(C4C3(CCCC4(C)C(=O)O)C)OC(=O)C5=CC=CC=C5)CC2=NO

DOS

IR

Vibrations