Geometry & MOs

Info

ID:	289582
PubChem CID:	104359747
Reduced:	BrOSN2C16H23 (1)
Stoich.:	ABCD2E16F23 (1)
Weight, g/mol:	287.107692
ΔH_f, kcal/mol:	-26.29
Dipole, Da:	4.33
IP(EA), eV:	-8.67(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2,4-dimethylaniline

Drug info:

PubChemData

Smile

CSC1(CCN(CC1)CC2=CC(=CC3=C2OCC3)Br)CN

DOS

IR

Vibrations