Geometry & MOs

Info

ID:	204827
PubChem CID:	80014564
Reduced:	NSC7H15 (1)
Stoich.:	ABC7D15 (1)
Weight, g/mol:	312.25992
ΔH_f, kcal/mol:	-15.41
Dipole, Da:	2.42
IP(EA), eV:	-8.92(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)methyl]-2-propylpentane-1-thiol

Drug info:

PubChemData

Smile

CC1CCN(C1)CCS

DOS

IR

Vibrations