Geometry & MOs

Info

ID:	365220
PubChem CID:	127317068
Reduced:	O2N4C13H22 (1)
Stoich.:	A2B4C13D22 (1)
Weight, g/mol:	385.193632
ΔH_f, kcal/mol:	-82.42
Dipole, Da:	3.86
IP(EA), eV:	-8.4(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1CCN3C(=O)CNC3=O

DOS

IR

Vibrations