Geometry & MOs

Info

ID:	1929
PubChem CID:	5374
Reduced:	SN3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	209.098669
ΔH_f, kcal/mol:	41.73
Dipole, Da:	1.6
IP(EA), eV:	-8.67(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine

Drug info:

PubChemData

Smile

C=CCN1CCC2=C(CC1)SC(=N2)N

DOS

IR

Vibrations