Geometry & MOs

Info

ID:	336878
PubChem CID:	127255885
Reduced:	NO10C31H39 (1)
Stoich.:	AB10C31D39 (1)
Weight, g/mol:	258.157957
ΔH_f, kcal/mol:	-378.08
Dipole, Da:	2.79
IP(EA), eV:	-8.77(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-(methoxymethylamino)-2-oxoethyl]-N-prop-2-enylcarbamate

Drug info:

PubChemData

Smile

CC(=O)OC(C)(C)CCCC(CC(=O)OC)(C(=O)O[C@@H]1C(=CN2C13CC=CC3C4=CC5=C(C=C4CC2)OCO5)OC)O

DOS

IR

Vibrations