Geometry & MOs

Info

ID:	158834
PubChem CID:	56479519
Reduced:	N2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	401.04874
ΔH_f, kcal/mol:	-140.94
Dipole, Da:	8.6
IP(EA), eV:	-9.06(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-2-oxopyridin-1-yl)-N-[1-phenyl-2-(1,2,4-triazol-1-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N1CC2=CC=CC=C2CC1C(=O)N(C)CC3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations