Geometry & MOs

Info

ID:	65342
PubChem CID:	29214727
Reduced:	OS2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	433.272927
ΔH_f, kcal/mol:	-15.07
Dipole, Da:	8.07
IP(EA), eV:	-8.24(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(4-benzylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methanone

Drug info:

PubChemData

Smile

CCCCNC(=S)N(C)NC(=O)CCCSC1=CC=CC=C1

DOS

IR

Vibrations