Geometry & MOs

Info

ID:	396700
PubChem CID:	135029048
Reduced:	O3C17H28 (1)
Stoich.:	A3B17C28 (1)
Weight, g/mol:	351.219829
ΔH_f, kcal/mol:	-145.37
Dipole, Da:	1.54
IP(EA), eV:	-9.7(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(12S,13S,16S,17S)-9-hydroxy-12,17-dimethyl-8-azapentacyclo[14.2.1.02,7.08,18.012,17]nonadeca-1(18),2,4,6-tetraen-13-yl]propanal

Drug info:

PubChemData

Smile

C/C(=C\CC[C@H]1CCC(=O)[C@]1(C)C(=C)CCCO)/CO

DOS

IR

Vibrations