Geometry & MOs

Info

ID:	221853
PubChem CID:	85291392
Reduced:	O4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	269.126323
ΔH_f, kcal/mol:	-171.69
Dipole, Da:	1.7
IP(EA), eV:	-9.09(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(5-tert-butylfuran-2-yl)-2-(methoxycarbonylamino)acetate

Drug info:

PubChemData

Smile

CC1(CCCCC2=C(C(C=CC21)C(=O)OC)OC)O

DOS

IR

Vibrations