Geometry & MOs

Info

ID:	34411
PubChem CID:	7891234
Reduced:	OS2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	345.241627
ΔH_f, kcal/mol:	27.71
Dipole, Da:	4.81
IP(EA), eV:	-8.12(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=CC(=C1C)C(=O)CSC2=NN=C(S2)NC3=CC=C(C=C3)CC)C

DOS

IR

Vibrations