Geometry & MOs

Info

ID:	336249
PubChem CID:	127255256
Reduced:	ClNO5H26C35 (1)
Stoich.:	ABC5D26E35 (1)
Weight, g/mol:	316.072703
ΔH_f, kcal/mol:	5.12
Dipole, Da:	5.91
IP(EA), eV:	-8.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-(2-imidazol-1-ylethyl)-4-oxo-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)[C@H]2[C@@H](N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=CC=C7Cl)OC

DOS

IR

Vibrations