Geometry & MOs

Info

ID:	289583
PubChem CID:	104359768
Reduced:	ClNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	351.00255
ΔH_f, kcal/mol:	-18.17
Dipole, Da:	3.86
IP(EA), eV:	-7.98(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NCC2=CC(=CC3=C2OCC3)Cl)C

DOS

IR

Vibrations