Geometry & MOs

Info

ID:	7395
PubChem CID:	72376
Reduced:	NO7H13C14 (1)
Stoich.:	AB7C13D14 (1)
Weight, g/mol:	307.069202
ΔH_f, kcal/mol:	-240.0
Dipole, Da:	4.06
IP(EA), eV:	-9.18(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one

Drug info:

PubChemData

Smile

C1OC2=C(O1)C(=C3C(=C2)C4=C[C@@H]([C@H]([C@H]([C@@H]4NC3=O)O)O)O)O

DOS

IR

Vibrations