Geometry & MOs

Info

ID:	402760
PubChem CID:	135057152
Reduced:	BrOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	199.120843
ΔH_f, kcal/mol:	-16.33
Dipole, Da:	3.32
IP(EA), eV:	-9.46(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-2-(nitromethyl)-1-propan-2-ylcyclopentane-1-carbaldehyde

Drug info:

PubChemData

Smile

CC(C=C)[C@@H](C1=CC=C(C=C1)Br)O

DOS

IR

Vibrations