Geometry & MOs

Info

ID:	236224
PubChem CID:	92711968
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	317.12949
ΔH_f, kcal/mol:	-1.36
Dipole, Da:	3.58
IP(EA), eV:	-8.58(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-(2-chlorophenyl)-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=C3

DOS

IR

Vibrations