Geometry & MOs

Info

ID:	149646
PubChem CID:	53789320
Reduced:	NO3C9H11 (1)
Stoich.:	AB3C9D11 (1)
Weight, g/mol:	234.16198
ΔH_f, kcal/mol:	-90.28
Dipole, Da:	2.85
IP(EA), eV:	-9.78(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-8-methylidene-2-adamantyl) propanoate

Drug info:

PubChemData

Smile

C[C@H](CC1=CC(=O)C(=O)CC1=O)N

DOS

IR

Vibrations