Geometry & MOs

Info

ID:	190490
PubChem CID:	78011658
Reduced:	NC37H69 (1)
Stoich.:	AB37C69 (1)
Weight, g/mol:	511.511701
ΔH_f, kcal/mol:	-144.81
Dipole, Da:	1.28
IP(EA), eV:	-8.45(3.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-ditert-butyl-N-[3-methyl-4-(2-methylcyclohexyl)cyclohexyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracen-9-amine

Drug info:

PubChemData

Smile

CCC1C(C(C2CC(CCC2C1NC3CCCC(C3C)C4CCCCC4)C(C)(C)C)C)CCCC(C)(C)C

DOS

IR

Vibrations