Geometry & MOs

Info

ID:	40187
PubChem CID:	8143715
Reduced:	ON2C28H34 (1)
Stoich.:	AB2C28D34 (1)
Weight, g/mol:	389.131031
ΔH_f, kcal/mol:	7.03
Dipole, Da:	6.39
IP(EA), eV:	-8.18(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-pyridin-2-ylquinolin-4-yl)-3-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)NC3=CC=CC=C3

DOS

IR

Vibrations