Geometry & MOs

Info

ID:	48068
PubChem CID:	10536926
Reduced:	OC15H24 (1)
Stoich.:	AB15C24 (1)
Weight, g/mol:	220.193949
ΔH_f, kcal/mol:	-51.53
Dipole, Da:	2.2
IP(EA), eV:	-9.73(2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(tert-butyliminomethyl)cyclohexyl]propanenitrile

Drug info:

PubChemData

Smile

C[C@H]1CC[C@H]2[C@]13CC[C@H](C3)C([C@@]24CO4)(C)C

DOS

IR

Vibrations