Geometry & MOs

Info

ID:	379344
PubChem CID:	134358794
Reduced:	F4C31H40 (1)
Stoich.:	A4B31C40 (1)
Weight, g/mol:	543.165989
ΔH_f, kcal/mol:	-201.04
Dipole, Da:	3.14
IP(EA), eV:	-9.49(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl N-[4-[2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]-1-hydroxy-5,6,7,8-tetrahydroquinolin-1-ium-8-yl]-1H-imidazol-5-yl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCC1CCC(CC1)C2=C(C(=C(C=C2)C3=C(C(=C(C=C3)C/C=C\CC)F)F)F)F

DOS

IR

Vibrations