Geometry & MOs

Info

ID:	37471
PubChem CID:	8021443
Reduced:	ClNO4H14C15 (1)
Stoich.:	ABC4D14E15 (1)
Weight, g/mol:	328.097855
ΔH_f, kcal/mol:	-137.9
Dipole, Da:	3.55
IP(EA), eV:	-8.94(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloronaphthalen-1-yl)oxy-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide

Drug info:

PubChemData

Smile

CCOC(=O)NC(=O)COC1=CC=C(C2=CC=CC=C21)Cl

DOS

IR

Vibrations