Geometry & MOs

Info

ID:	296279
PubChem CID:	117565364
Reduced:	ClN2O2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	-53.32
Dipole, Da:	6.06
IP(EA), eV:	-8.86(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-(4-cyanophenyl)oxetane-3-carboxamide

Drug info:

PubChemData

Smile

C1C(CO1)(CN)C(=O)NC2=CC=C(C=C2)Cl

DOS

IR

Vibrations