Geometry & MOs

Info

ID:	30327
PubChem CID:	841142
Reduced:	N2O4H14C19 (1)
Stoich.:	A2B4C14D19 (1)
Weight, g/mol:	287.107692
ΔH_f, kcal/mol:	-70.31
Dipole, Da:	6.01
IP(EA), eV:	-9.32(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(1S)-1-(4-methylphenyl)propyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C(=CC2=C1)C(=O)NN=CC3=CC=CC=C3C(=O)O)O

DOS

IR

Vibrations