Geometry & MOs

Info

ID:	20782
PubChem CID:	585668
Reduced:	OSN2C18H20 (1)
Stoich.:	ABC2D18E20 (1)
Weight, g/mol:	312.129634
ΔH_f, kcal/mol:	-10.88
Dipole, Da:	7.64
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(adamantane-1-carbonylamino)phenyl] thiocyanate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)SC#N

DOS

IR

Vibrations