Geometry & MOs

Info

ID:	69084
PubChem CID:	46518166
Reduced:	N3O5C17H23 (1)
Stoich.:	A3B5C17D23 (1)
Weight, g/mol:	364.17467
ΔH_f, kcal/mol:	-134.34
Dipole, Da:	8.08
IP(EA), eV:	-9.26(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-(2-methyl-4-nitroanilino)-3-oxopropyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations