Geometry & MOs

Info

ID:	236216
PubChem CID:	92711938
Reduced:	BrON3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	6.84
Dipole, Da:	3.27
IP(EA), eV:	-8.7(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(4-ethoxyphenyl)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C2=CC=CN2CCN1C(=O)NC3=CC=CC=C3Br

DOS

IR

Vibrations