Geometry & MOs

Info

ID:	318600
PubChem CID:	126652202
Reduced:	C3O3H4 (6)
Stoich.:	A3B3C4 (6)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-743.24
Dipole, Da:	4.57
IP(EA), eV:	-10.42(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-aminocyclopentyl]-N-cyclobutyl-2,6-dimethoxybenzamide

Drug info:

PubChemData

Smile

C1=C(O[C@H](C([C@H]1O)O)O[C@H]2C(C([C@@H](OC2OC=O)O[C@H]3[C@@H](C([C@@H](OC3OC=O)O)O)O)O)O)OC=O

DOS

IR

Vibrations