Geometry & MOs

Info

ID:	317673
PubChem CID:	126644899
Reduced:	O3N5C23H27 (1)
Stoich.:	A3B5C23D27 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-38.18
Dipole, Da:	2.49
IP(EA), eV:	-8.67(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[(2,3-dimethylphenyl)methoxy]cyclopentan-1-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CC(=C(N=C2)N)C(=O)N[C@H]3CCC[C@@H]3OCC4=CC(=CC=C4)OC

DOS

IR

Vibrations