Geometry & MOs

Info

ID:	11614
PubChem CID:	118214
Reduced:	NOCl5C26H32 (1)
Stoich.:	ABC5D26E32 (1)
Weight, g/mol:	551.089703
ΔH_f, kcal/mol:	-86.67
Dipole, Da:	3.32
IP(EA), eV:	-9.15(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;2,3,4,5,6-pentachlorophenol

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@](C3CC2)(C)CN)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O

DOS

IR

Vibrations