Geometry & MOs

Info

ID:	71494
PubChem CID:	48414956
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	369.241627
ΔH_f, kcal/mol:	-53.5
Dipole, Da:	8.28
IP(EA), eV:	-8.91(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(=O)NCCC(=O)N2CCN(CC2)CCC#C

DOS

IR

Vibrations