Geometry & MOs

Info

ID:	365230
PubChem CID:	127317078
Reduced:	ON2C9H12 (2)
Stoich.:	AB2C9D12 (2)
Weight, g/mol:	375.15291
ΔH_f, kcal/mol:	9.2
Dipole, Da:	6.35
IP(EA), eV:	-8.36(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluorophenyl)-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

CC1CN2CCCC2CN1CC3=NOC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations