Geometry & MOs

Info

ID:	187574
PubChem CID:	77593912
Reduced:	NO2C8H15 (1)
Stoich.:	AB2C8D15 (1)
Weight, g/mol:	369.10519
ΔH_f, kcal/mol:	-84.77
Dipole, Da:	3.89
IP(EA), eV:	-8.98(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[5-(4-methoxyphenyl)pyrazolidin-3-yl]-2-methylpentanamide

Drug info:

PubChemData

Smile

CCC1(CC1CNC)C(=O)O

DOS

IR

Vibrations