Geometry & MOs

Info

ID:	192260
PubChem CID:	78250440
Reduced:	NSO3C19H27 (1)
Stoich.:	ABC3D19E27 (1)
Weight, g/mol:	389.201122
ΔH_f, kcal/mol:	-123.9
Dipole, Da:	3.13
IP(EA), eV:	-8.56(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 1-amino-7,8,8-trimethyl-5-piperidin-1-ium-1-ylidene-9,9b-dihydro-6H-thieno[2,3-c][2,7]naphthyridine-2-carboxylate

Drug info:

PubChemData

Smile

CCCCOC1CC2C(CC1CC)C(=O)C(=CO2)C3=NC(=CS3)C

DOS

IR

Vibrations