Geometry & MOs

Info

ID:	236232
PubChem CID:	92711981
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	311.199762
ΔH_f, kcal/mol:	-48.79
Dipole, Da:	6.4
IP(EA), eV:	-8.33(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(2-ethylphenyl)-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=C(C=C3)OCC

DOS

IR

Vibrations