Geometry & MOs

Info

ID:	61787
PubChem CID:	26713097
Reduced:	ClN2O2C17H17 (1)
Stoich.:	AB2C2D17E17 (1)
Weight, g/mol:	303.102606
ΔH_f, kcal/mol:	-63.36
Dipole, Da:	7.19
IP(EA), eV:	-9.21(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(4-chlorophenyl)ethyl]-4-ethoxybenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations