Geometry & MOs

Info

ID:	340879
PubChem CID:	127263314
Reduced:	NOC6H11 (1)
Stoich.:	ABC6D11 (1)
Weight, g/mol:	786.405123
ΔH_f, kcal/mol:	-42.78
Dipole, Da:	0.52
IP(EA), eV:	-9.26(2.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (7R)-7-methyl-1,4-diazepane-1-carboxylate;(2S,3S)-2,3-dibenzoyloxybutanedioic acid

Drug info:

PubChemData

Smile

C1[C@@H]2C[C@@H]([C@H]1CN2)O

DOS

IR

Vibrations