Geometry & MOs

Info

ID:	62084
PubChem CID:	26717509
Reduced:	NCl2O2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	323.047984
ΔH_f, kcal/mol:	-58.76
Dipole, Da:	5.39
IP(EA), eV:	-9.28(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations