Geometry & MOs

Info

ID:	365461
PubChem CID:	127317880
Reduced:	FO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	384.196154
ΔH_f, kcal/mol:	-71.04
Dipole, Da:	4.08
IP(EA), eV:	-8.77(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3-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=CN=C(C=C3)OC4=CC=C(C=C4)F

DOS

IR

Vibrations