Geometry & MOs

Info

ID:	71495
PubChem CID:	48414957
Reduced:	O2N3C22H31 (1)
Stoich.:	A2B3C22D31 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	4.67
IP(EA), eV:	-8.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations