Geometry & MOs

Info

ID:	282357
PubChem CID:	103923175
Reduced:	BrClNO4H15C17 (1)
Stoich.:	ABCD4E15F17 (1)
Weight, g/mol:	328.272593
ΔH_f, kcal/mol:	-133.08
Dipole, Da:	2.53
IP(EA), eV:	-9.72(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[(2,6-dimethyloxan-4-yl)amino]methyl]pentan-3-yl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC(CC(=O)O)C2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations