Geometry & MOs

Info

ID:	127184
PubChem CID:	50993593
Reduced:	FO3N5C27H36 (1)
Stoich.:	AB3C5D27E36 (1)
Weight, g/mol:	392.033062
ΔH_f, kcal/mol:	-152.19
Dipole, Da:	4.19
IP(EA), eV:	-8.64(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dichlorophenyl)-2,6-dimethoxy-4-methyl-8-nitroquinoline

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C3C[C@H]4CC[C@@H](C3)N4CC[C@@H](C5=CC(=CC=C5)F)NC(=O)OC)CN(CC2)C(=O)C

DOS

IR

Vibrations