Geometry & MOs

Info

ID:	130902
PubChem CID:	51124922
Reduced:	BrON3C18H28 (1)
Stoich.:	ABC3D18E28 (1)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-50.36
Dipole, Da:	6.73
IP(EA), eV:	-8.96(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-3-nitrophenyl]ethanone

Drug info:

PubChemData

Smile

CCCN1CCC(C1)CNC(=O)NC(C)CC2=CC=C(C=C2)Br

DOS

IR

Vibrations