Geometry & MOs

Info

ID:	447447
PubChem CID:	135282958
Reduced:	BrNO3C17H24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	300.04734
ΔH_f, kcal/mol:	-119.89
Dipole, Da:	5.33
IP(EA), eV:	-8.86(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2-bromo-6-methylpyridin-3-yl)methyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](CC(C)(C)NC(=O)O)COC1=C(C=C(C=C1)Br)C2CC2

DOS

IR

Vibrations