Geometry & MOs

Info

ID:	194230
PubChem CID:	78501372
Reduced:	N2S2O3H12C15 (1)
Stoich.:	A2B2C3D12E15 (1)
Weight, g/mol:	372.287569
ΔH_f, kcal/mol:	-40.64
Dipole, Da:	2.49
IP(EA), eV:	-8.91(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	3

Chem-info

IUPAC name:

7-cyclohexyl-5-(4-methylpiperazin-4-ium-1-yl)-6,7,8,9-tetrahydro-4H-pyrazolo[3,4-c][2,7]naphthyridine-4,7-diium-1-amine

Drug info:

PubChemData

Smile

CC1=CSC2=NC(=CC(=O)N12)COC(=O)C=CC3=CSC=C3

DOS

IR

Vibrations