Geometry & MOs

Info

ID:	236235
PubChem CID:	92711989
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	351.155847
ΔH_f, kcal/mol:	-88.55
Dipole, Da:	6.2
IP(EA), eV:	-8.74(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-propyl-N-[3-(trifluoromethyl)phenyl]-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)OC)OC

DOS

IR

Vibrations