Geometry & MOs

Info

ID:	164194
PubChem CID:	74382247
Reduced:	NO4C19H31 (1)
Stoich.:	AB4C19D31 (1)
Weight, g/mol:	421.130553
ΔH_f, kcal/mol:	-183.11
Dipole, Da:	3.01
IP(EA), eV:	-8.52(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-chloro-2-(3-hydroxypyrrolidin-1-yl)quinolin-5-yl]-2-(4-cyanoanilino)acetamide

Drug info:

PubChemData

Smile

CCCCOC1=C(C=CC(=C1)O)C(=O)OCC(C(C)CC)N(C)C

DOS

IR

Vibrations