Geometry & MOs

Info

ID:	205576
PubChem CID:	80122773
Reduced:	ON2C6H6 (2)
Stoich.:	AB2C6D6 (2)
Weight, g/mol:	247.154544
ΔH_f, kcal/mol:	6.7
Dipole, Da:	5.16
IP(EA), eV:	-9.3(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-methyl-4-N-(tetrazolo[1,5-b]pyridazin-6-yl)cyclohexane-1,4-diamine

Drug info:

PubChemData

Smile

C1CC1C(C(=O)O)NC2=NC3=NC=CN=C3C=C2

DOS

IR

Vibrations