Geometry & MOs

Info

ID:	71391
PubChem CID:	48414772
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	322.168128
ΔH_f, kcal/mol:	-87.13
Dipole, Da:	2.65
IP(EA), eV:	-8.78(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-but-3-ynylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCN(CC1)CCC#C)N2C(=O)C3CC=CCC3C2=O

DOS

IR

Vibrations