Geometry & MOs

Info

ID:	289653
PubChem CID:	104363682
Reduced:	BrNOSC17H24 (1)
Stoich.:	ABCDE17F24 (1)
Weight, g/mol:	291.11384
ΔH_f, kcal/mol:	-38.85
Dipole, Da:	4.03
IP(EA), eV:	-8.48(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(1-methylpyrazol-4-yl)ethanamine

Drug info:

PubChemData

Smile

CNC(CC1=CC(=CC2=C1OCC2)Br)CSC3CCCC3

DOS

IR

Vibrations