Geometry & MOs

Info

ID:	136042
PubChem CID:	51970294
Reduced:	ClO2N4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	393.157623
ΔH_f, kcal/mol:	-33.17
Dipole, Da:	2.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752329
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CCCNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations