Geometry & MOs

Info

ID:	387996
PubChem CID:	134987739
Reduced:	ON2Cl3C7H11 (1)
Stoich.:	AB2C3D7E11 (1)
Weight, g/mol:	163.099714
ΔH_f, kcal/mol:	-47.53
Dipole, Da:	5.46
IP(EA), eV:	-9.1(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S,3S,4R)-3-formyl-2-bicyclo[2.2.1]heptanyl]acetonitrile

Drug info:

PubChemData

Smile

C1CCN(C1)/N=C/C(C(Cl)(Cl)Cl)O

DOS

IR

Vibrations