Geometry & MOs

Info

ID:	161043
PubChem CID:	57390608
Reduced:	ClO2H12C14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	449.32938
ΔH_f, kcal/mol:	-64.03
Dipole, Da:	4.42
IP(EA), eV:	-8.56(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(4bS,8aS)-4b,8,8-trimethyl-1-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthren-2-yl]oxy]-3-(benzylamino)propan-2-ol

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C/C2=C(C(=CC(=C2)OC)OC)/C=C/C(=O)/C=C/C3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations