Geometry & MOs

Info

ID:	164942
PubChem CID:	74476570
Reduced:	O2N6C27H38 (1)
Stoich.:	A2B6C27D38 (1)
Weight, g/mol:	493.3291
ΔH_f, kcal/mol:	-2.03
Dipole, Da:	10.22
IP(EA), eV:	-9.02(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[1-(1-cyclohexyltetrazol-5-yl)cyclohexyl]-[(6,8-dimethyl-2-oxo-3H-quinolin-3-yl)methyl]-(3-hydroxypropyl)azanium

Drug info:

PubChemData

Smile

CC1=CC2=CC(C(=O)N=C2C=C1)CN(CCCO)C3(CCCCC3)C4=NN=NN4C5CCCCC5

DOS

IR

Vibrations