Geometry & MOs

Info

ID:	140875
PubChem CID:	52775382
Reduced:	N2F3O4C20H27 (1)
Stoich.:	A2B3C4D20E27 (1)
Weight, g/mol:	444.273656
ΔH_f, kcal/mol:	-345.32
Dipole, Da:	4.28
IP(EA), eV:	-8.89(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methylcarbamoyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CC(=O)NC2=CC=CC=C2OCC(F)(F)F

DOS

IR

Vibrations