Geometry & MOs

Info

ID:	325995
PubChem CID:	126685938
Reduced:	O5C15H18 (1)
Stoich.:	A5B15C18 (1)
Weight, g/mol:	337.216555
ΔH_f, kcal/mol:	-210.17
Dipole, Da:	4.13
IP(EA), eV:	-9.69(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(3-amino-5-fluoro-2-methylphenyl)methyl]-2-methylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(=O)CCC(=O)OCC1=CC=CC(=C1)CC(=O)OC

DOS

IR

Vibrations