Geometry & MOs

Info

ID:	16486
PubChem CID:	470715
Reduced:	O3N4H14C15 (1)
Stoich.:	A3B4C14D15 (1)
Weight, g/mol:	298.10659
ΔH_f, kcal/mol:	-52.47
Dipole, Da:	4.95
IP(EA), eV:	-9.04(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-9-methyl-10-oxo-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-13-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC=N2)N(C(=O)C3=C1N=CC(=C3)C(=O)O)C

DOS

IR

Vibrations