Geometry & MOs

Info

ID:	249908
PubChem CID:	103092802
Reduced:	NOBr2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-1.52
Dipole, Da:	3.16
IP(EA), eV:	-9.08(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-propyl-4-(3,4,5-trimethoxyphenyl)but-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC(=C(O1)Br)Br

DOS

IR

Vibrations