Geometry & MOs

Info

ID:	293408
PubChem CID:	117387523
Reduced:	ClNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	253.123342
ΔH_f, kcal/mol:	-66.27
Dipole, Da:	3.17
IP(EA), eV:	-8.83(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

C1CCNC(C1)CC2=C3C(=CC(=C2)Cl)OCO3

DOS

IR

Vibrations