Geometry & MOs

Info

ID:	44102
PubChem CID:	10500695
Reduced:	BrNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	265.239222
ΔH_f, kcal/mol:	-127.15
Dipole, Da:	4.3
IP(EA), eV:	-9.51(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-pentyl-4,7,10-triaza-1-azoniatetracyclo[5.5.2.04,13.010,14]tetradecane

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=C(C=C1)Br)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations