Geometry & MOs

Info

ID:	349079
PubChem CID:	127274805
Reduced:	OSN5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	365.191483
ΔH_f, kcal/mol:	30.66
Dipole, Da:	2.19
IP(EA), eV:	-8.86(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(2,6-difluorophenyl)-3-oxopropyl]acetamide

Drug info:

PubChemData

Smile

C1CCN2CCN(CC2C1)C(=O)CC3=CSC(=N3)C4=NC=CN=C4

DOS

IR

Vibrations