Geometry & MOs

Info

ID:	381967
PubChem CID:	134972851
Reduced:	NOCl3H10C18 (1)
Stoich.:	ABC3D10E18 (1)
Weight, g/mol:	358.133572
ΔH_f, kcal/mol:	29.54
Dipole, Da:	6.63
IP(EA), eV:	-9.58(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3-chloropropyl)-3-hydroxy-1-methyl-9,10-dihydrophenanthrene-4-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CN=C(C=C3)Cl

DOS

IR

Vibrations