Geometry & MOs

Info

ID:	249712
PubChem CID:	103091511
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	243.107085
ΔH_f, kcal/mol:	-50.75
Dipole, Da:	2.77
IP(EA), eV:	-8.33(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]but-3-en-2-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)/C=C/C(C)N)OC

DOS

IR

Vibrations