Geometry & MOs

Info

ID:	289449
PubChem CID:	104354412
Reduced:	OSN2C17H28 (1)
Stoich.:	ABC2D17E28 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-89.05
Dipole, Da:	1.87
IP(EA), eV:	-8.74(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(3-methyl-1-adamantyl)-3-oxopropanenitrile

Drug info:

PubChemData

Smile

CC(C)C(C(=S)N)NC(=O)C12CC3CC(C1)CC(C3)(C2)C

DOS

IR

Vibrations