Geometry & MOs

Info

ID:	71752
PubChem CID:	48415324
Reduced:	O2N3C22H29 (1)
Stoich.:	A2B3C22D29 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-29.95
Dipole, Da:	5.99
IP(EA), eV:	-8.74(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-but-3-ynylpiperazin-1-yl)-3-oxopropyl]furan-3-carboxamide

Drug info:

PubChemData

Smile

C#CCCN1CCN(CC1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCCCC3

DOS

IR

Vibrations