Geometry & MOs

Info

ID:	131317
PubChem CID:	51189669
Reduced:	NO2C16H23 (1)
Stoich.:	AB2C16D23 (1)
Weight, g/mol:	269.122735
ΔH_f, kcal/mol:	-101.79
Dipole, Da:	4.12
IP(EA), eV:	-8.97(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,4-difluorophenyl)ethyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(C)NC(=O)C2CCOCC2

DOS

IR

Vibrations