Geometry & MOs

Info

ID:	334119
PubChem CID:	127252671
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	345.078327
ΔH_f, kcal/mol:	-58.4
Dipole, Da:	5.63
IP(EA), eV:	-8.61(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-5-nitro-11-(thiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CN1C=CC2=C1C=C(C=C2)C(=O)N3CC4CC(C3)C5CCCC(=O)N5C4

DOS

IR

Vibrations