Geometry & MOs

Info

ID:	179919
PubChem CID:	76555138
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	368.104003
ΔH_f, kcal/mol:	-48.91
Dipole, Da:	3.9
IP(EA), eV:	-9.09(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-methyl-3-[5-(4-nitrophenyl)pyrazolidin-3-yl]quinoline

Drug info:

PubChemData

Smile

C1COCCN1C2CC(=O)NC(N2)CC3=NC4=C(C=CC=C4O3)C5=CC=CC=C5

DOS

IR

Vibrations