Geometry & MOs

Info

ID:	182368
PubChem CID:	76881336
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	270.180424
ΔH_f, kcal/mol:	-32.29
Dipole, Da:	9.71
IP(EA), eV:	-9.2(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-(3-amino-2-methylpropyl)piperazin-1-yl]-1,2,4-triazinane-3,5-dione

Drug info:

PubChemData

Smile

CC1=NC(=NC(=O)C1=C(C)NC2=CC=CC(=C2)COC)C

DOS

IR

Vibrations