Geometry & MOs

Info

ID:	193753
PubChem CID:	78434605
Reduced:	N2O2C24H31 (1)
Stoich.:	A2B2C24D31 (1)
Weight, g/mol:	437.210127
ΔH_f, kcal/mol:	-44.86
Dipole, Da:	1.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.131943
Charge, e:	1

Chem-info

IUPAC name:

(6-ethyl-2-oxo-3H-quinolin-3-yl)methyl-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-(2-hydroxyethyl)azanium

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2CC3CCCC(C2)[NH+]3CC4=CC=C(C=C4)OC

DOS

IR

Vibrations