Geometry & MOs

Info

ID:	20635
PubChem CID:	584949
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	203.131014
ΔH_f, kcal/mol:	-37.78
Dipole, Da:	4.43
IP(EA), eV:	-10.19(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-adamantyl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)CC#N

DOS

IR

Vibrations