Geometry & MOs

Info

ID:	194082
PubChem CID:	78479113
Reduced:	BrNO5C18H20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	328.191269
ΔH_f, kcal/mol:	-173.27
Dipole, Da:	6.32
IP(EA), eV:	-9.06(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

oxolan-2-ylmethyl-[2-(2-phenylmethoxyphenoxy)ethyl]azanium

Drug info:

PubChemData

Smile

CC1=NC(=C(C(C1C(=O)OC)C2=C(C=CC(=C2)Br)OC)C(=O)OC)C

DOS

IR

Vibrations