Geometry & MOs

Info

ID:	71375
PubChem CID:	48414716
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	350.199428
ΔH_f, kcal/mol:	-26.83
Dipole, Da:	0.96
IP(EA), eV:	-8.97(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-but-3-ynylpiperazin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(=O)NCC(=O)N2CCN(CC2)CCC#C)C

DOS

IR

Vibrations