Geometry & MOs

Info

ID:	321529
PubChem CID:	126666530
Reduced:	ClO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	376.201159
ΔH_f, kcal/mol:	22.61
Dipole, Da:	4.72
IP(EA), eV:	-9.24(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-4-yl)-2-[(4-propan-2-yltriazol-1-yl)methyl]imidazo[4,5-c]quinoline

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations