Geometry & MOs

Info

ID:	379326
PubChem CID:	134358264
Reduced:	O4C21H28 (1)
Stoich.:	A4B21C28 (1)
Weight, g/mol:	131.094629
ΔH_f, kcal/mol:	-170.84
Dipole, Da:	5.57
IP(EA), eV:	-8.78(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4R)-4-amino-2-(hydroxymethyl)cyclopentan-1-ol

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/OC(C(=C(C)C)C)O)/C1CCCC2=CC=CC=C12

DOS

IR

Vibrations