Geometry & MOs

Info

ID:	436835
PubChem CID:	135212085
Reduced:	O3N6C24H32 (1)
Stoich.:	A3B6C24D32 (1)
Weight, g/mol:	365.257946
ΔH_f, kcal/mol:	-53.54
Dipole, Da:	7.58
IP(EA), eV:	-8.32(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-aminopyridazin-3-yl)methyl]-1-methylidene-2-(2-methyl-3-methylidenecyclopenten-1-yl)-2-azaspiro[4.5]decan-8-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC\2=C1CN(/C2=N\N)N)CNC3CCC4(CC3)CCN(C4=O)C5=C(C(=O)OC5)C

DOS

IR

Vibrations