Geometry & MOs

Info

ID:	325281
PubChem CID:	126682469
Reduced:	O2N7C26H29 (1)
Stoich.:	A2B7C26D29 (1)
Weight, g/mol:	467.222035
ΔH_f, kcal/mol:	-2.77
Dipole, Da:	9.27
IP(EA), eV:	-8.45(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-3-[4-[4-[4-(2-hydroxypropan-2-yl)benzoyl]piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

Drug info:

PubChemData

Smile

CC1=CC=C2N1C=C(NC2=O)CCCC(=O)N3CCC(CC3)C4=CC(=C(N=C4)N)C5=NC=CC=N5

DOS

IR

Vibrations