Geometry & MOs

Info

ID:	26118
PubChem CID:	639011
Reduced:	NO3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	274.156895
ΔH_f, kcal/mol:	-86.0
Dipole, Da:	3.4
IP(EA), eV:	-8.41(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,10aR)-6,7-dihydroxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC(=CC=C3)O)O)OC

DOS

IR

Vibrations