Geometry & MOs

Info

ID:	327824
PubChem CID:	126691118
Reduced:	ClO2N5H22C25 (1)
Stoich.:	AB2C5D22E25 (1)
Weight, g/mol:	390.12628
ΔH_f, kcal/mol:	10.57
Dipole, Da:	6.11
IP(EA), eV:	-9.27(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R,4R)-2-methyloxan-4-yl]-2-(thiadiazol-4-ylmethyl)imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CC(CCO1)N2C(=NC3=CN=C4C=CC(=CC4=C32)Cl)CC5=CC(=O)N6C=CC=CC6=N5

DOS

IR

Vibrations