Geometry & MOs

Info

ID:	387200
PubChem CID:	134984379
Reduced:	PC25H28 (1)
Stoich.:	AB25C28 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	43.06
Dipole, Da:	8.61
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.938511
Charge, e:	0

Chem-info

IUPAC name:

2-O-benzyl 1-O-tert-butyl (2S,4E)-4-(cyanomethylidene)azetidine-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CC1CC([P+](CC2=C1C=CC(=C2)C)(C3=CC=CC=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations