Geometry & MOs

Info

ID:	264973
PubChem CID:	103505412
Reduced:	SO2N3C13H21 (1)
Stoich.:	AB2C3D13E21 (1)
Weight, g/mol:	305.156184
ΔH_f, kcal/mol:	-76.99
Dipole, Da:	7.05
IP(EA), eV:	-8.34(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-cyclopropylthiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)C1CCN(CC1)C2=C(C(=NS2)N)C(=O)OC

DOS

IR

Vibrations