Geometry & MOs

Info

ID:	286164
PubChem CID:	104157515
Reduced:	ClNO3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	308.165541
ΔH_f, kcal/mol:	-126.86
Dipole, Da:	2.72
IP(EA), eV:	-10.0(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CC(=C1)C(=O)OC2CCOCC2)Cl

DOS

IR

Vibrations