Geometry & MOs

Info

ID:	291698
PubChem CID:	113459848
Reduced:	NOC16H23 (1)
Stoich.:	ABC16D23 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-36.42
Dipole, Da:	1.44
IP(EA), eV:	-8.69(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-butyl-3-ethyl-1-benzofuran-2-yl)-N-methylmethanamine

Drug info:

PubChemData

Smile

CCC1=C2C(=CC=C1)C(=C(O2)CNC(C)C)CC

DOS

IR

Vibrations