Geometry & MOs

Info

ID:	39658
PubChem CID:	8141768
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	384.228717
ΔH_f, kcal/mol:	-68.08
Dipole, Da:	2.58
IP(EA), eV:	-9.01(0.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-tert-butyl-2-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations