Geometry & MOs

Info

ID:	402782
PubChem CID:	135057245
Reduced:	ClO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	259.104239
ΔH_f, kcal/mol:	-86.51
Dipole, Da:	2.02
IP(EA), eV:	-9.57(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylpyrazol-1-yl)-N-(2H-tetrazol-5-yl)-1,2,4,5-tetrazin-3-amine

Drug info:

PubChemData

Smile

C[C@H](C/C=C\C[C@@H](C1=CC=C(C=C1)Cl)O)O

DOS

IR

Vibrations