Geometry & MOs

Info

ID:	204250
PubChem CID:	79936070
Reduced:	O2S2N3C14H23 (1)
Stoich.:	A2B2C3D14E23 (1)
Weight, g/mol:	293.156184
ΔH_f, kcal/mol:	-57.7
Dipole, Da:	4.12
IP(EA), eV:	-8.55(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propyl-1,3-thiazole-5-carbaldehyde

Drug info:

PubChemData

Smile

CCNCC1=C(C=CS1)S(=O)(=O)N2CCN3CCCC3C2

DOS

IR

Vibrations