Geometry & MOs

Info

ID:	322701
PubChem CID:	126670852
Reduced:	NC5H7 (3)
Stoich.:	AB5C7 (3)
Weight, g/mol:	425.09502
ΔH_f, kcal/mol:	36.86
Dipole, Da:	3.45
IP(EA), eV:	-8.66(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,3S,5R)-3-[(6-bromo-4-methoxypyridin-2-yl)carbamoyl]-5-methyl-2-azabicyclo[3.1.0]hexane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=CNN=C2)NC(C)(C)C

DOS

IR

Vibrations