Geometry & MOs

Info

ID:	142291
PubChem CID:	53011042
Reduced:	BrN3O3H20C25 (1)
Stoich.:	AB3C3D20E25 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	7.5
Dipole, Da:	4.68
IP(EA), eV:	-9.1(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-1-[4-[(2-methylbenzoyl)amino]phenyl]-2-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC2=NC=NC(=C2)C3=CC(=CC=C3)C(=O)NCC4=CC=C(C=C4)Br

DOS

IR

Vibrations