Geometry & MOs

Info

ID:	398312
PubChem CID:	135032785
Reduced:	NO2C4H10 (1)
Stoich.:	AB2C4D10 (1)
Weight, g/mol:	347.213932
ΔH_f, kcal/mol:	-83.25
Dipole, Da:	1.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753153
Charge, e:	0

Chem-info

IUPAC name:

(1R,7aS)-2-[(S)-deuterio(phenyl)methyl]-1-triethylsilyloxy-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one

Drug info:

PubChemData

Smile

C[C@H]([C@H](C=[OH+])N)O

DOS

IR

Vibrations