Geometry & MOs

Info

ID:	185168
PubChem CID:	77264897
Reduced:	FN3O6C15H22 (1)
Stoich.:	AB3C6D15E22 (1)
Weight, g/mol:	328.178693
ΔH_f, kcal/mol:	-293.82
Dipole, Da:	5.15
IP(EA), eV:	-9.83(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[1-[4-[hydroxy(pyridin-4-yl)methyl]phenyl]ethyl]carbamic acid

Drug info:

PubChemData

Smile

CCCCCOC(=O)C1(C(C(C(O1)C)O)O)N2C=C(C(=NC2=O)N)F

DOS

IR

Vibrations