Geometry & MOs

Info

ID:	362938
PubChem CID:	127309944
Reduced:	N3O3C21H31 (1)
Stoich.:	A3B3C21D31 (1)
Weight, g/mol:	387.252192
ΔH_f, kcal/mol:	-96.62
Dipole, Da:	5.16
IP(EA), eV:	-8.78(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(oxan-4-yloxymethyl)phenyl]methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2CCN(CC2)C(=O)NCC3=CC(=CC=C3)COC4CCOCC4

DOS

IR

Vibrations