Geometry & MOs

Info

ID:	365460
PubChem CID:	127317879
Reduced:	ON2C10H15 (2)
Stoich.:	AB2C10D15 (2)
Weight, g/mol:	384.196154
ΔH_f, kcal/mol:	-73.98
Dipole, Da:	2.65
IP(EA), eV:	-8.48(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN2CCCC2CN1C(=O)NCC3=C(N=CC=C3)OC4CCCC4

DOS

IR

Vibrations