Geometry & MOs

Info

ID:	181283
PubChem CID:	76727710
Reduced:	O3N4C28H32 (1)
Stoich.:	A3B4C28D32 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-51.88
Dipole, Da:	3.44
IP(EA), eV:	-8.36(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yl-N-(2,4-dioxo-1,3-diazinan-5-yl)benzamide

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)NC3=C2CC4(C(=O)N(C(=O)N4C3C5=CC=CC=C5)CCNCC6CC6)C

DOS

IR

Vibrations