Geometry & MOs

Info

ID:	150824
PubChem CID:	53790520
Reduced:	Cl2N2H12C17 (1)
Stoich.:	A2B2C12D17 (1)
Weight, g/mol:	244.219101
ΔH_f, kcal/mol:	51.51
Dipole, Da:	1.76
IP(EA), eV:	-8.92(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S,10S,13S,14S)-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)C=C(N2)CC3=CC4=C(N3)C=CC(=C4)Cl

DOS

IR

Vibrations