Geometry & MOs

Info

ID:	152307
PubChem CID:	56311211
Reduced:	N4O5C26H28 (1)
Stoich.:	A4B5C26D28 (1)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-81.58
Dipole, Da:	7.59
IP(EA), eV:	-8.37(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[1-(3-nitroanilino)-1-oxopropan-2-yl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2C(CC(=N2)C3=CC=CO3)C4=CC=CO4)C5=CC=C(C=C5)C(=O)OC

DOS

IR

Vibrations