Geometry & MOs

Info

ID:	233246
PubChem CID:	89449499
Reduced:	O2N5C16H19 (1)
Stoich.:	A2B5C16D19 (1)
Weight, g/mol:	290.22458
ΔH_f, kcal/mol:	8.05
Dipole, Da:	3.69
IP(EA), eV:	-8.28(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexylethyl adamantane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(C)N1C=C(C=N1)C2=C(C=NN3C2=CC=C3C)NC=O

DOS

IR

Vibrations