Geometry & MOs

Info

ID:	20714
PubChem CID:	585349
Reduced:	NO4C19H23 (1)
Stoich.:	AB4C19D23 (1)
Weight, g/mol:	329.162708
ΔH_f, kcal/mol:	-100.57
Dipole, Da:	5.01
IP(EA), eV:	-10.38(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)ethyl 4-nitrobenzoate

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)CCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations