Geometry & MOs

Info

ID:	393583
PubChem CID:	135021143
Reduced:	N3O3H19C30 (1)
Stoich.:	A3B3C19D30 (1)
Weight, g/mol:	344.186183
ΔH_f, kcal/mol:	85.76
Dipole, Da:	4.11
IP(EA), eV:	-9.34(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl (4aR,6S,8aS)-2,2-dimethyl-6-prop-2-enyl-4,4a,6,7,8,8a-hexahydro-[1,3]dioxino[5,4-b]pyridine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC3=CC=CC=C32)C4=C(C5=C(C=CC(=C5)[N+](=O)[O-])NC4=O)C6=CC=CC=C6

DOS

IR

Vibrations