Geometry & MOs

Info

ID:	185403
PubChem CID:	77296657
Reduced:	IN2O5C12H19 (1)
Stoich.:	AB2C5D12E19 (1)
Weight, g/mol:	264.183778
ΔH_f, kcal/mol:	-222.1
Dipole, Da:	3.75
IP(EA), eV:	-10.15(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(hydroxymethyl)-2-methylhexyl]-6,8a-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

Drug info:

PubChemData

Smile

CC(C)C1CN(C(=O)NC1=O)C2C(C(C(O2)CO)I)O

DOS

IR

Vibrations