Geometry & MOs

Info

ID:	435600
PubChem CID:	135191907
Reduced:	ON3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	255.02588
ΔH_f, kcal/mol:	18.18
Dipole, Da:	5.48
IP(EA), eV:	-9.67(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-bromo-2-(methylamino)phenyl]butanal

Drug info:

PubChemData

Smile

C/C=C(/CC1=CC(=NN1)C(=O)N)\C=C/C(=C)C

DOS

IR

Vibrations