Geometry & MOs

Info

ID:	426249
PubChem CID:	135142934
Reduced:	ON8C21H22 (1)
Stoich.:	AB8C21D22 (1)
Weight, g/mol:	256.143645
ΔH_f, kcal/mol:	79.45
Dipole, Da:	2.62
IP(EA), eV:	-8.86(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aE,8Z,10Z)-10-methyl-2-(1H-pyrazol-4-ylmethyl)-3,5,6,7-tetrahydroimidazo[4,5-e][1,3]diazonine

Drug info:

PubChemData

Smile

C1CC(CCC1CC#N)N2C(=NC3=CN=C4C(=C32)C=CN4)CNC(=O)C5=CNN=C5

DOS

IR

Vibrations