Geometry & MOs

Info

ID:	182330
PubChem CID:	76875627
Reduced:	NO2C7H8 (2)
Stoich.:	AB2C7D8 (2)
Weight, g/mol:	267.173548
ΔH_f, kcal/mol:	-135.89
Dipole, Da:	7.27
IP(EA), eV:	-9.04(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[(3-phenylpyrazolidin-4-yl)methyl]aniline

Drug info:

PubChemData

Smile

CN1CCC(=O)N(C1=O)CC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations