Geometry & MOs

Info

ID:	207185
PubChem CID:	80356646
Reduced:	NOC6H13 (2)
Stoich.:	ABC6D13 (2)
Weight, g/mol:	281.162708
ΔH_f, kcal/mol:	-110.72
Dipole, Da:	4.73
IP(EA), eV:	-9.08(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(oxan-2-yl)acetyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCCCN(CCN)C(=O)CC(C)COC

DOS

IR

Vibrations