Geometry & MOs

Info

ID:	399354
PubChem CID:	135039798
Reduced:	NO4C14H17 (1)
Stoich.:	AB4C14D17 (1)
Weight, g/mol:	199.157229
ΔH_f, kcal/mol:	-151.04
Dipole, Da:	3.16
IP(EA), eV:	-9.45(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S)-2-[(1S)-1-(1,3-dioxan-2-yl)ethyl]cyclopentan-1-amine

Drug info:

PubChemData

Smile

COC(=O)[C@]12CCC(N1[C@@H](OC2)C3=CC=CC=C3)O

DOS

IR

Vibrations