Geometry & MOs

Info

ID:	71496
PubChem CID:	48414958
Reduced:	O2N3C18H23 (1)
Stoich.:	A2B3C18D23 (1)
Weight, g/mol:	408.10486
ΔH_f, kcal/mol:	-15.45
Dipole, Da:	4.91
IP(EA), eV:	-8.69(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-5-methoxy-4-propoxyphenyl)-(4-but-3-ynylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)CCNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations