Geometry & MOs

Info

ID:	425514
PubChem CID:	135126595
Reduced:	OF3N6H17C26 (1)
Stoich.:	AB3C6D17E26 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	4.89
Dipole, Da:	7.06
IP(EA), eV:	-8.5(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-7-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2,8-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=NC=CC(=C2)C(F)(F)F)C#CC3=CC4=C(C=C3)N(C=N4)C5=CNN=C5

DOS

IR

Vibrations