Geometry & MOs

Info

ID:	137186
PubChem CID:	52167508
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	345.18009
ΔH_f, kcal/mol:	-10.81
Dipole, Da:	2.5
IP(EA), eV:	-8.46(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[3,5-dioxo-2,4-di(propan-2-yl)-1,2,4-triazin-6-yl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCN1C2=CC=CC=C2N=C1NC3=NN(C(=O)N(C3=O)CC)CC

DOS

IR

Vibrations