Geometry & MOs

Info

ID:	52705
PubChem CID:	12015729
Reduced:	BrON4H11C13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	298.142976
ΔH_f, kcal/mol:	37.74
Dipole, Da:	3.52
IP(EA), eV:	-8.98(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-13-(2-hydroxyethyl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC=N2)NC(=O)C3=C1N=CC(=C3)Br

DOS

IR

Vibrations