Geometry & MOs

Info

ID:	85614
PubChem CID:	49877689
Reduced:	BrN2O5H17C22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	228.079131
ΔH_f, kcal/mol:	-67.97
Dipole, Da:	5.26
IP(EA), eV:	-9.51(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-(oxolan-2-ylmethoxy)aniline;chloride

Drug info:

PubChemData

Smile

CC1=CC(=NO1)N2C(/C(=C(\C3=CC=C(C=C3)OC)/O)/C(=O)C2=O)C4=CC=C(C=C4)Br

DOS

IR

Vibrations