Geometry & MOs

Info

ID:	436954
PubChem CID:	135213251
Reduced:	O3C19H40 (1)
Stoich.:	A3B19C40 (1)
Weight, g/mol:	148.051574
ΔH_f, kcal/mol:	-222.73
Dipole, Da:	3.57
IP(EA), eV:	-9.41(2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4,5-dimethyl-2,6-dihydro-1H-1,2,3,5-tetrazine

Drug info:

PubChemData

Smile

CCC(C)(C)OCCC(C)(C)OC(C)(C)CCOC(C)(C)C

DOS

IR

Vibrations