Geometry & MOs

Info

ID:	64752
PubChem CID:	29203949
Reduced:	FO2N3C22H24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-86.37
Dipole, Da:	4.01
IP(EA), eV:	-8.62(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)C2=CC=C(C=C2)CC(=O)N3CCN(CC3)C4=CC=CC=C4F

DOS

IR

Vibrations