Geometry & MOs

Info

ID:	335749
PubChem CID:	127254611
Reduced:	ON5C18H21 (1)
Stoich.:	AB5C18D21 (1)
Weight, g/mol:	354.169191
ΔH_f, kcal/mol:	44.01
Dipole, Da:	1.93
IP(EA), eV:	-8.75(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-11-oxo-10-(3-pyrazol-1-ylpropyl)-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)CCCN2C=CC=C2)C3=NN=C4N3C=CC=C4

DOS

IR

Vibrations