Geometry & MOs

Info

ID:	193755
PubChem CID:	78434607
Reduced:	O4N6C23H25 (1)
Stoich.:	A4B6C23D25 (1)
Weight, g/mol:	479.204293
ΔH_f, kcal/mol:	-10.31
Dipole, Da:	2.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.314083
Charge, e:	1

Chem-info

IUPAC name:

2-hydroxyethyl-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-[(7-oxo-3,8-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1COC2=CC3=NC(=O)C(C=C3C=C2O1)C[NH+](CCO)CC4=NN=NN4CC5=CC=CC=C5

DOS

IR

Vibrations