Geometry & MOs

Info

ID:	204882
PubChem CID:	80025063
Reduced:	SN2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	253.186421
ΔH_f, kcal/mol:	33.48
Dipole, Da:	5.81
IP(EA), eV:	-8.44(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-azaspiro[5.5]undecan-3-ylmethyl)cyclopropyl]methanethiol

Drug info:

PubChemData

Smile

CN(CC1(CCCCCC1)CS)C2=CC=CC(=C2)C#N

DOS

IR

Vibrations