Geometry & MOs

Info

ID:	332663
PubChem CID:	127250949
Reduced:	ON3C11H12 (2)
Stoich.:	AB3C11D12 (2)
Weight, g/mol:	418.211724
ΔH_f, kcal/mol:	37.7
Dipole, Da:	6.52
IP(EA), eV:	-8.66(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CN=CN=C2C3CCN(C3)C(=O)C4=CC5=C(C=C4)N(CCC5)C

DOS

IR

Vibrations