Geometry & MOs

Info

ID:	337337
PubChem CID:	127257022
Reduced:	N3O5C27H37 (1)
Stoich.:	A3B5C27D37 (1)
Weight, g/mol:	335.05209
ΔH_f, kcal/mol:	-127.41
Dipole, Da:	7.78
IP(EA), eV:	-9.82(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-1-adamantyl) pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CCCCC(C(CCCOC(=O)C1=CN=CC=C1)C2C=CCC=C2[N+](=O)[O-])C(=O)NC3CCCC3

DOS

IR

Vibrations