Geometry & MOs

Info

ID:	144777
PubChem CID:	53411368
Reduced:	N2O7C16H20 (1)
Stoich.:	A2B7C16D20 (1)
Weight, g/mol:	350.184172
ΔH_f, kcal/mol:	-218.13
Dipole, Da:	11.28
IP(EA), eV:	-9.85(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-benzyl 4-O-(2-methylpropyl) 2-(hydroxymethyl)piperazine-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)OC2=CC=CC(=C2)[N+](=O)[O-]

DOS

IR

Vibrations