Geometry & MOs

Info

ID:	158581
PubChem CID:	56464221
Reduced:	O2N5C24H39 (1)
Stoich.:	A2B5C24D39 (1)
Weight, g/mol:	408.252526
ΔH_f, kcal/mol:	-97.21
Dipole, Da:	4.2
IP(EA), eV:	-8.4(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-(4-methylpiperazin-1-yl)-1-phenylethyl]amino]-4-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(C2=CC=CC=C2)NC(=O)CCCNC(=O)NC3CCCCC3

DOS

IR

Vibrations