Geometry & MOs

Info

ID:	355487
PubChem CID:	127288550
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	295.146681
ΔH_f, kcal/mol:	-71.36
Dipole, Da:	4.07
IP(EA), eV:	-8.7(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NCC(=O)N2CCN3CCCC3C2

DOS

IR

Vibrations