Geometry & MOs

Info

ID:	45860
PubChem CID:	10518308
Reduced:	O2C9H10 (2)
Stoich.:	A2B9C10 (2)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-131.82
Dipole, Da:	2.8
IP(EA), eV:	-8.75(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,7R)-3-benzyl-7-hydroxy-2-prop-2-enyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=CC(=CC=C1)OC2=CC=C(C=C2)OC

DOS

IR

Vibrations