Geometry & MOs

Info

ID:	313208
PubChem CID:	126612589
Reduced:	O2N3H7C8 (1)
Stoich.:	A2B3C7D8 (1)
Weight, g/mol:	185.123821
ΔH_f, kcal/mol:	-30.4
Dipole, Da:	1.87
IP(EA), eV:	-9.79(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methylcyclopropyl)-1,5-thiazocane

Drug info:

PubChemData

Smile

C1CC(=O)NC2=NC(=CN=C21)C=O

DOS

IR

Vibrations