Geometry & MOs

Info

ID:	280503
PubChem CID:	103849636
Reduced:	NO5C16H29 (1)
Stoich.:	AB5C16D29 (1)
Weight, g/mol:	347.173273
ΔH_f, kcal/mol:	-277.06
Dipole, Da:	6.12
IP(EA), eV:	-9.68(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[cyclopropyl(phenylmethoxycarbonyl)amino]-2,6-dimethyloxane-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCN(C(=O)OC(C)(C)C)C1(CC(OC(C1)C)C)C(=O)O

DOS

IR

Vibrations