Geometry & MOs

Info

ID:	16290
PubChem CID:	463557
Reduced:	ON2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	296.127326
ΔH_f, kcal/mol:	20.69
Dipole, Da:	2.72
IP(EA), eV:	-8.64(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-5-methoxy-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

Drug info:

PubChemData

Smile

CN1C2=C(N=C(C=C2)OC)N(C3=C(C1=O)C=CC=N3)C4CC4

DOS

IR

Vibrations