Geometry & MOs

Info

ID:	71780
PubChem CID:	48415378
Reduced:	BrON4C18H19 (1)
Stoich.:	ABC4D18E19 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	88.6
Dipole, Da:	3.01
IP(EA), eV:	-9.0(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-(4-but-3-ynylpiperazin-1-yl)-2-oxoethoxy]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=C(C=N3)Br

DOS

IR

Vibrations