Geometry & MOs

Info

ID:	272299
PubChem CID:	103738221
Reduced:	ClION2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	253.086957
ΔH_f, kcal/mol:	-6.72
Dipole, Da:	3.92
IP(EA), eV:	-8.93(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-hydroxy-N-[(1-methylcyclobutyl)methyl]benzamide

Drug info:

PubChemData

Smile

CN(C)CCN(C)C(=O)C1=CC(=C(C=C1)I)Cl

DOS

IR

Vibrations