Geometry & MOs

Info

ID:	396230
PubChem CID:	135027777
Reduced:	O3C4H6 (2)
Stoich.:	A3B4C6 (2)
Weight, g/mol:	459.273321
ΔH_f, kcal/mol:	-253.82
Dipole, Da:	3.87
IP(EA), eV:	-10.7(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[8-(2,2-dimethylpropylamino)-2-hydroxynaphthalen-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate

Drug info:

PubChemData

Smile

COC(=O)C1=C[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)O

DOS

IR

Vibrations