Geometry & MOs

Info

ID:	152179
PubChem CID:	56311051
Reduced:	N5O5C22H23 (1)
Stoich.:	A5B5C22D23 (1)
Weight, g/mol:	466.258006
ΔH_f, kcal/mol:	-11.97
Dipole, Da:	7.29
IP(EA), eV:	-8.6(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations