Geometry & MOs

Info

ID:	362543
PubChem CID:	127308158
Reduced:	Cl2O2N4C17H20 (1)
Stoich.:	A2B2C4D17E20 (1)
Weight, g/mol:	293.12949
ΔH_f, kcal/mol:	-56.19
Dipole, Da:	3.96
IP(EA), eV:	-8.97(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)NC3=CC(=CC(=C3)Cl)Cl)C

DOS

IR

Vibrations