Geometry & MOs

Info

ID:	296271
PubChem CID:	117564852
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	244.121178
ΔH_f, kcal/mol:	-97.61
Dipole, Da:	2.8
IP(EA), eV:	-8.77(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyano-N-(2-propan-2-ylphenyl)oxetane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C2(CC2)C(=O)OC

DOS

IR

Vibrations