Geometry & MOs

Info

ID:	188741
PubChem CID:	77760636
Reduced:	ClFSO3N5C17H19 (1)
Stoich.:	ABCD3E5F17G19 (1)
Weight, g/mol:	538.282302
ΔH_f, kcal/mol:	-95.75
Dipole, Da:	7.14
IP(EA), eV:	-8.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-ethoxy-6-[4-(2-hexyltetrazol-5-yl)phenyl]-8-methoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridine;hydrochloride

Drug info:

PubChemData

Smile

C1C2CNC1CN2C3=C(C=C(C=C3)N4CC(OC4=O)COC5=NSN=C5)F.Cl

DOS

IR

Vibrations