Geometry & MOs

Info

ID:	291696
PubChem CID:	113459830
Reduced:	BrNOC14H18 (1)
Stoich.:	ABCD14E18 (1)
Weight, g/mol:	231.162314
ΔH_f, kcal/mol:	-18.66
Dipole, Da:	1.66
IP(EA), eV:	-8.87(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethyl-7-propan-2-yl-1-benzofuran-2-yl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CCC1=C(OC2=C1C=C(C=C2Br)C)CNCC

DOS

IR

Vibrations