Geometry & MOs

Info

ID:	156190
PubChem CID:	56369447
Reduced:	N3O4C23H27 (1)
Stoich.:	A3B4C23D27 (1)
Weight, g/mol:	415.294725
ΔH_f, kcal/mol:	-144.81
Dipole, Da:	9.24
IP(EA), eV:	-8.88(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylphenyl)acetyl]-N-[4-(4-methylpiperazin-1-yl)butyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCN(CC1)C(=O)C2CCCN2C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations