Geometry & MOs

Info

ID:	152448
PubChem CID:	56311377
Reduced:	O4N5C22H23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	450.263091
ΔH_f, kcal/mol:	21.1
Dipole, Da:	5.89
IP(EA), eV:	-9.23(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations