Geometry & MOs

Info

ID:	236225
PubChem CID:	92711970
Reduced:	ClON3C17H20 (1)
Stoich.:	ABC3D17E20 (1)
Weight, g/mol:	331.14514
ΔH_f, kcal/mol:	-8.1
Dipole, Da:	2.85
IP(EA), eV:	-8.83(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(2-chloro-4-methylphenyl)-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@H]1C2=CC=CN2CCN1C(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations