Geometry & MOs

Info

ID:	194444
PubChem CID:	78537285
Reduced:	FNO4H10C15 (1)
Stoich.:	ABC4D10E15 (1)
Weight, g/mol:	379.04192
ΔH_f, kcal/mol:	-66.76
Dipole, Da:	5.81
IP(EA), eV:	-9.95(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-nitrophenyl) 3-bromoadamantane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(=O)C=CC2=CC=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations