Geometry & MOs

Info

ID:	362565
PubChem CID:	127308277
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	297.104418
ΔH_f, kcal/mol:	-23.37
Dipole, Da:	4.31
IP(EA), eV:	-8.49(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-fluorophenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)OC2=NC=C(C=C2)NC(=O)N3CCN4CCCC4C3

DOS

IR

Vibrations