Geometry & MOs

Info

ID:	187081
PubChem CID:	77529541
Reduced:	SN4O5C34H46 (1)
Stoich.:	AB4C5D34E46 (1)
Weight, g/mol:	344.188863
ΔH_f, kcal/mol:	-191.98
Dipole, Da:	5.68
IP(EA), eV:	-9.07(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(2-methylphenyl)phenoxy]methyl]-5-phenylpyrazolidine

Drug info:

PubChemData

Smile

CCN1C(=O)N(C(=O)C12CCN(CC2)C(C3CNCC3C4=CC=CC=C4)C(=O)CC(C)(C)C)CC5=CC=C(C=C5)S(=O)(=O)C

DOS

IR

Vibrations