Geometry & MOs

Info

ID:	289617
PubChem CID:	104360592
Reduced:	BrON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	302.118591
ΔH_f, kcal/mol:	13.1
Dipole, Da:	6.07
IP(EA), eV:	-8.92(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=NC=C1)NCC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations