Geometry & MOs

Info

ID:	217369
PubChem CID:	85087708
Reduced:	NO4C21H27 (1)
Stoich.:	AB4C21D27 (1)
Weight, g/mol:	361.259009
ΔH_f, kcal/mol:	-179.24
Dipole, Da:	4.41
IP(EA), eV:	-9.15(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-4-methyl-1-[4-methyl-2-(tetrazolidin-5-yl)piperazin-1-yl]pentan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC(=O)C1CCCN1C(=O)CC2CC3=CC=CC=C3C2

DOS

IR

Vibrations