Geometry & MOs

Info

ID:	357476
PubChem CID:	127294109
Reduced:	N3O5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-129.03
Dipole, Da:	6.22
IP(EA), eV:	-8.6(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)NC(=O)C2CCN(C2=O)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations