Geometry & MOs

Info

ID:	169352
PubChem CID:	75091450
Reduced:	PO9C42H73 (1)
Stoich.:	AB9C42D73 (1)
Weight, g/mol:	359.06332
ΔH_f, kcal/mol:	-539.2
Dipole, Da:	5.09
IP(EA), eV:	-8.73(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-bromophenyl)pyrazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC(CO)O)OC(=O)C=C(C)C=CC=C(C)C=CC1=C(CCCC1(C)C)C

DOS

IR

Vibrations