Geometry & MOs

Info

ID:	438533
PubChem CID:	135228276
Reduced:	O3N4C13H14 (1)
Stoich.:	A3B4C13D14 (1)
Weight, g/mol:	293.12766
ΔH_f, kcal/mol:	-51.17
Dipole, Da:	4.58
IP(EA), eV:	-9.27(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-methyl-8,10,16,17-tetrazatetracyclo[12.3.1.02,7.08,12]octadeca-2,4,6,9,11,14,16-heptaene-11-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2CC(NC3=CC=CC=C3N2N=N1)O

DOS

IR

Vibrations