Geometry & MOs

Info

ID:	295604
PubChem CID:	117537234
Reduced:	ON2C14H18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	257.09827
ΔH_f, kcal/mol:	-22.63
Dipole, Da:	2.08
IP(EA), eV:	-9.31(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[4-(3-fluorophenyl)-2-methylbutan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(C)(C)NC(=O)CC#N

DOS

IR

Vibrations