Geometry & MOs

Info

ID:	131309
PubChem CID:	51188744
Reduced:	ClNO2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	287.113313
ΔH_f, kcal/mol:	-40.69
Dipole, Da:	5.05
IP(EA), eV:	-9.26(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC=C(O1)C2=CC=CC=C2Cl

DOS

IR

Vibrations