Geometry & MOs

Info

ID:	199950
PubChem CID:	79322163
Reduced:	ClBr2H7C9 (1)
Stoich.:	AB2C7D9 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	24.9
Dipole, Da:	1.55
IP(EA), eV:	-9.58(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-methoxyphenyl)methylidene]butan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)C=CCBr)Br

DOS

IR

Vibrations