Geometry & MOs

Info

ID:	362876
PubChem CID:	127309705
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	360.252526
ΔH_f, kcal/mol:	-116.49
Dipole, Da:	3.56
IP(EA), eV:	-8.85(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-methylpentan-2-yloxy)pyridin-4-yl]methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C2=CC=CC=C2)C(=O)NCC3CCCN3CCOC

DOS

IR

Vibrations