Geometry & MOs

Info

ID:	353723
PubChem CID:	127285300
Reduced:	ClOSN3C20H20 (1)
Stoich.:	ABCD3E20F20 (1)
Weight, g/mol:	322.144806
ΔH_f, kcal/mol:	16.5
Dipole, Da:	1.67
IP(EA), eV:	-8.65(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-(4-chlorophenyl)cyclobutyl]amino]-N-(oxan-4-yl)acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=C2C(=O)NC(=N3)CNC4(CCC4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations