Geometry & MOs

Info

ID:	353722
PubChem CID:	127285299
Reduced:	ClON3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	385.101561
ΔH_f, kcal/mol:	-14.56
Dipole, Da:	6.54
IP(EA), eV:	-9.52(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[[1-(4-chlorophenyl)cyclobutyl]amino]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

C1CCC(CC1)(C#N)NC(=O)CNC2(CCC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations