Geometry & MOs

Info

ID:	399353
PubChem CID:	135039797
Reduced:	IOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	263.115758
ΔH_f, kcal/mol:	2.93
Dipole, Da:	1.63
IP(EA), eV:	-9.36(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,7aR)-5-hydroxy-3-phenyl-3,5,6,7-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole-7a-carboxylate

Drug info:

PubChemData

Smile

C1[C@@H](C=C[C@H]1O)C2=CC=C(C=C2)I

DOS

IR

Vibrations