Geometry & MOs

Info

ID:	122218
PubChem CID:	50798145
Reduced:	ON4C30H32 (1)
Stoich.:	AB4C30D32 (1)
Weight, g/mol:	319.168462
ΔH_f, kcal/mol:	50.51
Dipole, Da:	3.35
IP(EA), eV:	-8.75(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-6-methyl-2-pyridin-2-ylquinoline-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC=CC=C2)CCCNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

DOS

IR

Vibrations