Geometry & MOs

Info

ID:	300471
PubChem CID:	121286617
Reduced:	ON7C8H9 (1)
Stoich.:	AB7C8D9 (1)
Weight, g/mol:	243.02588
ΔH_f, kcal/mol:	103.12
Dipole, Da:	1.59
IP(EA), eV:	-9.0(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-methyl-5-propoxyaniline

Drug info:

PubChemData

Smile

CN1C(=O)N2CNC(=C3N=CC=N3)C2=NN1

DOS

IR

Vibrations