Geometry & MOs

Info

ID:	249888
PubChem CID:	103092682
Reduced:	BrNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-52.8
Dipole, Da:	1.91
IP(EA), eV:	-8.43(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(2,3-dihydro-1-benzofuran-5-yl)-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C=C/C1=CC(=C(C=C1Br)OC)OC

DOS

IR

Vibrations