Geometry & MOs

Info

ID:	126265
PubChem CID:	50957981
Reduced:	O2N4C11H14 (1)
Stoich.:	A2B4C11D14 (1)
Weight, g/mol:	360.144707
ΔH_f, kcal/mol:	-21.36
Dipole, Da:	5.61
IP(EA), eV:	-8.94(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[5-cyclopropyl-2-(2-methylpyridin-4-yl)-1H-1,2,4-triazol-3-ylidene]-4-(tetrazol-1-yl)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=NNC2=O)CN

DOS

IR

Vibrations