Geometry & MOs

Info

ID:	325278
PubChem CID:	126682465
Reduced:	O2N6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	423.19582
ΔH_f, kcal/mol:	-13.8
Dipole, Da:	7.93
IP(EA), eV:	-8.48(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-oxobutyl]-6-methyl-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)C#N

DOS

IR

Vibrations