Geometry & MOs

Info

ID:	190400
PubChem CID:	77997548
Reduced:	O2N8C17H22 (1)
Stoich.:	A2B8C17D22 (1)
Weight, g/mol:	369.178747
ΔH_f, kcal/mol:	23.97
Dipole, Da:	4.61
IP(EA), eV:	-8.59(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3-aminopiperidin-1-ium-1-ylidene)-6-methyl-5-[(4-methylpyrimidin-2-yl)methyl]imidazo[4,5-d]pyridazine-4,7-dione

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1)CN2C(=O)C3=[NH+]C(=[N+]4CCCC(C4)N)N=C3C(=O)N2C

DOS

IR

Vibrations