Geometry & MOs

Info

ID:	39661
PubChem CID:	8141773
Reduced:	N3O3C24H32 (1)
Stoich.:	A3B3C24D32 (1)
Weight, g/mol:	417.299142
ΔH_f, kcal/mol:	-75.59
Dipole, Da:	2.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754716
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[4-[4-(4-tert-butylphenoxy)butanoyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)COC2=CC=CC=C2C3=CC=CC=C3

DOS

IR

Vibrations