Geometry & MOs

Info

ID:	173768
PubChem CID:	75679938
Reduced:	ON2C17H32 (1)
Stoich.:	AB2C17D32 (1)
Weight, g/mol:	314.1617
ΔH_f, kcal/mol:	-39.67
Dipole, Da:	3.02
IP(EA), eV:	-8.82(0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1,4-dioxan-2-ylmethyl-[(8-methyltetrazolo[1,5-a]quinolin-4-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C[NH2+]CC(CC(C)C)[NH+](C)C

DOS

IR

Vibrations