Geometry & MOs

Info

ID:	179726
PubChem CID:	76522315
Reduced:	NO4C17H20 (1)
Stoich.:	AB4C17D20 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-114.34
Dipole, Da:	5.6
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.769350
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-[1-(5-oxo-2H-furan-2-yl)-2-phenylethyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(C(CC1=CC=CC=C1)C2C=CC(=O)O2)C(=O)[O-]

DOS

IR

Vibrations