Geometry & MOs

Info

ID:	321494
PubChem CID:	126666348
Reduced:	BrH19C26 (1)
Stoich.:	AB19C26 (1)
Weight, g/mol:	485.217538
ΔH_f, kcal/mol:	74.35
Dipole, Da:	1.79
IP(EA), eV:	-8.72(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-(6-amino-5-pyrimidin-2-ylpyridine-3-carbonyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C)C2=CC3=C(C=C2)C4=CC=CC=C4C5=CC=CC=C53

DOS

IR

Vibrations