Geometry & MOs

Info

ID:	217834
PubChem CID:	85088458
Reduced:	NO5C23H33 (1)
Stoich.:	AB5C23D33 (1)
Weight, g/mol:	403.227807
ΔH_f, kcal/mol:	-220.41
Dipole, Da:	2.32
IP(EA), eV:	-9.54(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloropent-1-ynyl)-1-hydroxy-6,9a,11a-trimethyl-2,3,3a,3b,4,5,5a,9b,10,11-decahydroindeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

CC1CN(C2C1CCC3(C2(C4=CCCC4CCC3=O)CCC(=O)OC)CO)C=O

DOS

IR

Vibrations