Geometry & MOs

Info

ID:	190489
PubChem CID:	78011503
Reduced:	ClO7C22H23 (1)
Stoich.:	AB7C22D23 (1)
Weight, g/mol:	527.543001
ΔH_f, kcal/mol:	-253.77
Dipole, Da:	4.9
IP(EA), eV:	-8.79(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-tert-butyl-N-(3-cyclohexyl-2-methylcyclohexyl)-3-(4,4-dimethylpentyl)-2-ethyl-4-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=CC(=C3C(=C2Cl)CCO3)C4C(C(=O)C(C(O4)CO)O)O

DOS

IR

Vibrations