Geometry & MOs

Info

ID:	296277
PubChem CID:	117565161
Reduced:	ClNO4C12H12 (1)
Stoich.:	ABC4D12E12 (1)
Weight, g/mol:	201.136493
ΔH_f, kcal/mol:	-133.59
Dipole, Da:	3.78
IP(EA), eV:	-9.14(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)-N-(3-methylbutyl)oxetane-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1(COC1)C(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations