Geometry & MOs

Info

ID:	321527
PubChem CID:	126666525
Reduced:	SO10C30H30 (1)
Stoich.:	AB10C30D30 (1)
Weight, g/mol:	396.146537
ΔH_f, kcal/mol:	-234.06
Dipole, Da:	3.27
IP(EA), eV:	-8.14(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-1-[(2R,4R)-2-methyloxan-4-yl]-2-[(4-methyltriazol-2-yl)methyl]imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

CC(COC(=O)C=C)C(=C)C(=O)OOC1=CC=C(C=C1)SC2=CC=C(C=C2)OCC(COC(=O)C=C)OC(=O)C=C

DOS

IR

Vibrations