Geometry & MOs

Info

ID:	289609
PubChem CID:	104360226
Reduced:	BrN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	226.087291
ΔH_f, kcal/mol:	-63.55
Dipole, Da:	3.86
IP(EA), eV:	-8.72(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)NCC2=CC(=CC3=C2OCC3)Br

DOS

IR

Vibrations