Geometry & MOs

Info

ID:	335005
PubChem CID:	127253811
Reduced:	O4N5C26H29 (1)
Stoich.:	A4B5C26D29 (1)
Weight, g/mol:	341.137556
ΔH_f, kcal/mol:	-69.73
Dipole, Da:	7.5
IP(EA), eV:	-8.16(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-(5-methoxy-4-oxo-1H-pyridine-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CC3=C(NN=C32)C(=O)NCCN4C[C@H]5C[C@@H](C4)C6=CC=CC(=O)N6C5)OC

DOS

IR

Vibrations