Geometry & MOs

Info

ID:	236226
PubChem CID:	92711971
Reduced:	ClON3C18H22 (1)
Stoich.:	ABC3D18E22 (1)
Weight, g/mol:	331.14514
ΔH_f, kcal/mol:	-21.93
Dipole, Da:	3.47
IP(EA), eV:	-8.74(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-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=C(C=C(C=C3)C)Cl

DOS

IR

Vibrations