Geometry & MOs

Info

ID:	446072
PubChem CID:	135272148
Reduced:	ClO2N4C23H29 (1)
Stoich.:	AB2C4D23E29 (1)
Weight, g/mol:	355.225977
ΔH_f, kcal/mol:	-52.33
Dipole, Da:	6.86
IP(EA), eV:	-8.32(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6,8-dimethyl-4-(3-pyrrolidin-1-ylpropylamino)quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1CCNC2=CC(=CC(=C2)Cl)N3CC4CC(C3)C5=CC=CC(=O)N5C4

DOS

IR

Vibrations