Geometry & MOs

Info

ID:	171598
PubChem CID:	75401242
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	310.160266
ΔH_f, kcal/mol:	-11.91
Dipole, Da:	4.59
IP(EA), eV:	-8.71(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-adamantylmethyl 1-oxothiane-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=CN=CN12)C(=O)N3CCCCCC3C4=CC=CO4

DOS

IR

Vibrations