Geometry & MOs

Info

ID:	354806
PubChem CID:	127287566
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	358.182733
ΔH_f, kcal/mol:	-91.62
Dipole, Da:	6.7
IP(EA), eV:	-8.6(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)C(=O)N2CCN3CCCCC3C2)C

DOS

IR

Vibrations