Geometry & MOs

Info

ID:	443693
PubChem CID:	135259774
Reduced:	NO2C6H8 (2)
Stoich.:	AB2C6D8 (2)
Weight, g/mol:	589.387957
ΔH_f, kcal/mol:	-141.19
Dipole, Da:	2.39
IP(EA), eV:	-9.63(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(3,3-dimethylbutyl) 5-[[(3S,5R)-4-benzyl-3,5-dimethylpiperazin-1-yl]methyl]indole-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1CN(CC(N1C(=O)C2=CC=CO2)C)C(=O)O

DOS

IR

Vibrations