Geometry & MOs

Info

ID:	142883
PubChem CID:	53108090
Reduced:	O3N4H22C23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	425.24269
ΔH_f, kcal/mol:	-13.06
Dipole, Da:	4.94
IP(EA), eV:	-8.92(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-5-[(2-methoxybenzoyl)amino]-N-methyl-2-piperazin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CNC(=O)C2=NC3=C(C(=N2)N4CCOCC4)OC5=CC=CC=C53

DOS

IR

Vibrations