Geometry & MOs

Info

ID:	391400
PubChem CID:	135004742
Reduced:	N3O5H9C15 (1)
Stoich.:	A3B5C9D15 (1)
Weight, g/mol:	366.232558
ΔH_f, kcal/mol:	-73.18
Dipole, Da:	6.06
IP(EA), eV:	-10.24(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(1S,4aR,4bS,8aS,10aR)-2-(chloromethyl)-4b,8,8,10a-tetramethyl-4,4a,5,6,7,8a,9,10-octahydro-1H-phenanthren-1-yl]acetate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C2=CC3=C(C=C2)NC(=O)NC3=O)[N+](=O)[O-]

DOS

IR

Vibrations