Geometry & MOs

Info

ID:	167502
PubChem CID:	74837053
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	465.27399
ΔH_f, kcal/mol:	-35.79
Dipole, Da:	4.13
IP(EA), eV:	-9.16(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-3-(3-propan-2-yloxyphenyl)-1,2,4-triazinan-5-one

Drug info:

PubChemData

Smile

CC(C)COC1=CC=C(C=C1)C2=NC(=O)C(N=N2)CCC(=O)NC3CC3

DOS

IR

Vibrations