Geometry & MOs

Info

ID:	392222
PubChem CID:	135013754
Reduced:	ON2C19H28 (1)
Stoich.:	AB2C19D28 (1)
Weight, g/mol:	171.089543
ΔH_f, kcal/mol:	-25.12
Dipole, Da:	1.13
IP(EA), eV:	-8.68(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(1R,2R)-2-nitrocyclopentyl]propanal

Drug info:

PubChemData

Smile

CCC1=C[C@@H]([C@H](CC(=N1)OC)C2=CC=CC=C2)NC(C)(C)C

DOS

IR

Vibrations