Geometry & MOs

Info

ID:	159941
PubChem CID:	57299207
Reduced:	N3O3H15C16 (1)
Stoich.:	A3B3C15D16 (1)
Weight, g/mol:	303.219829
ΔH_f, kcal/mol:	22.92
Dipole, Da:	4.92
IP(EA), eV:	-9.22(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,3bS,9aR,9bR,11aR)-2-hydroxy-5,9a,11a-trimethyl-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridin-7-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=C(C=N2)[N+](=O)[O-])N3C=CC=C3CCCO

DOS

IR

Vibrations