Geometry & MOs

Info

ID:	249714
PubChem CID:	103091545
Reduced:	NOBr2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	191.131014
ΔH_f, kcal/mol:	-2.38
Dipole, Da:	1.85
IP(EA), eV:	-9.15(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[2-(methoxymethyl)phenyl]but-3-en-2-amine

Drug info:

PubChemData

Smile

CC(/C=C/C1=C(C(=CC(=C1)Br)Br)OC)N

DOS

IR

Vibrations