Geometry & MOs

Info

ID:	178751
PubChem CID:	76376096
Reduced:	O4C19H32 (1)
Stoich.:	A4B19C32 (1)
Weight, g/mol:	253.157898
ΔH_f, kcal/mol:	-218.14
Dipole, Da:	3.73
IP(EA), eV:	-9.93(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methylphenyl)-N-phenylpyrazolidin-4-amine

Drug info:

PubChemData

Smile

CCCCC(C)CCC(=O)C1C(CC2C1CC3(C2)OCCO3)O

DOS

IR

Vibrations