Geometry & MOs

Info

ID:	236243
PubChem CID:	92712004
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	399.155847
ΔH_f, kcal/mol:	-130.67
Dipole, Da:	5.14
IP(EA), eV:	-8.67(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-1-benzyl-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@H]1C2=CC=CN2CCN1C(=O)NCCC(=O)OCC

DOS

IR

Vibrations