Geometry & MOs

Info

ID:	433223
PubChem CID:	135173360
Reduced:	N3O3H17C18 (1)
Stoich.:	A3B3C17D18 (1)
Weight, g/mol:	324.12224
ΔH_f, kcal/mol:	-30.07
Dipole, Da:	3.8
IP(EA), eV:	-8.77(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(11S)-5,6-dimethoxy-1,4,7,9-tetrazatetracyclo[9.8.0.03,8.013,18]nonadeca-3(8),4,6,9,13,15,17-heptaen-2-one

Drug info:

PubChemData

Smile

COC1=C(N=C2C(=C1)C(=O)N3CC4=CC=CC=C4C[C@H]3C=N2)OC

DOS

IR

Vibrations