Geometry & MOs

Info

ID:	208777
PubChem CID:	80584325
Reduced:	SN3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	326.02008
ΔH_f, kcal/mol:	10.59
Dipole, Da:	4.62
IP(EA), eV:	-8.72(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(thiolan-2-yl)methanamine

Drug info:

PubChemData

Smile

CCCN1C=NC=C1CNCC2CCCS2

DOS

IR

Vibrations