Geometry & MOs

Info

ID:	332662
PubChem CID:	127250948
Reduced:	FO2N6C22H25 (1)
Stoich.:	AB2C6D22E25 (1)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	-4.37
Dipole, Da:	2.22
IP(EA), eV:	-9.07(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-[3-[5-(5-methyl-1,2,4-oxadiazol-3-yl)pyrimidin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)CN(C)CC4=CC=CC=C4F

DOS

IR

Vibrations