Geometry & MOs

Info

ID:	321648
PubChem CID:	126666725
Reduced:	ClO2N3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	361.165108
ΔH_f, kcal/mol:	-30.19
Dipole, Da:	2.29
IP(EA), eV:	-8.59(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]-4-(2H-oxadiazol-3-yl)imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C1CO[C@H](C[C@H]1C2=NC3=C(C=C(C=C3)Cl)C(=C2N)N)COCC4=CC=CC=C4

DOS

IR

Vibrations