Geometry & MOs

Info

ID:	388054
PubChem CID:	134987979
Reduced:	NO3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	213.136493
ΔH_f, kcal/mol:	-106.81
Dipole, Da:	5.01
IP(EA), eV:	-10.16(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R)-2-isocyanato-3-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(C)(N=C=O)OC(=O)C1=CC=CC=C1

DOS

IR

Vibrations