Geometry & MOs

Info

ID:	321848
PubChem CID:	126667075
Reduced:	OS2N6C18H18 (1)
Stoich.:	AB2C6D18E18 (1)
Weight, g/mol:	199.132077
ΔH_f, kcal/mol:	84.3
Dipole, Da:	5.35
IP(EA), eV:	-8.78(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-2-azido-5-butoxycyclopentan-1-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C2=CSC(=N2)NC(CN3C=C(C=N3)C4=CN=CC=C4)O

DOS

IR

Vibrations