Geometry & MOs

Info

ID:	152885
PubChem CID:	56311968
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	426.19032
ΔH_f, kcal/mol:	-128.05
Dipole, Da:	7.2
IP(EA), eV:	-8.39(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C(C)N2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations