Geometry & MOs

Info

ID:	358858
PubChem CID:	127296729
Reduced:	FOSN5C18H22 (1)
Stoich.:	ABCD5E18F22 (1)
Weight, g/mol:	375.15291
ΔH_f, kcal/mol:	-19.8
Dipole, Da:	4.97
IP(EA), eV:	-8.94(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)NC3=NN=C(S3)CC4=CC=CC=C4F

DOS

IR

Vibrations