Geometry & MOs

Info

ID:	36623
PubChem CID:	8010013
Reduced:	OSN5C16H17 (1)
Stoich.:	ABC5D16E17 (1)
Weight, g/mol:	394.10842
ΔH_f, kcal/mol:	45.72
Dipole, Da:	2.98
IP(EA), eV:	-8.87(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloroquinolin-3-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC2=CC=CC=C2C=C1)NC(=O)CSC3=NNC(=N3)N

DOS

IR

Vibrations