Geometry & MOs

Info

ID:	187882
PubChem CID:	77638055
Reduced:	N2O3C11H20 (1)
Stoich.:	A2B3C11D20 (1)
Weight, g/mol:	429.194296
ΔH_f, kcal/mol:	-147.67
Dipole, Da:	7.75
IP(EA), eV:	-9.18(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-5-hydroxy-6-oxo-2-(1,2,4-trimethylpiperazin-2-yl)-1,3-diazinane-4-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)O)NC2CCOCC2

DOS

IR

Vibrations