Geometry & MOs

Info

ID:	59053
PubChem CID:	24770592
Reduced:	NOC21H25 (1)
Stoich.:	ABC21D25 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	0.63
Dipole, Da:	2.33
IP(EA), eV:	-8.65(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-6-pentanoylpyrrolo[1,2-a]pyrazin-1-one

Drug info:

PubChemData

Smile

CN1[C@@H]2CC[C@H]1CC(C2)(C3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations