Geometry & MOs

Info

ID:	62764
PubChem CID:	26736660
Reduced:	ClN2O2C21H24 (1)
Stoich.:	AB2C2D21E24 (1)
Weight, g/mol:	370.144806
ΔH_f, kcal/mol:	-37.94
Dipole, Da:	1.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.125971
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1-benzylpiperidin-4-yl)-5-chloro-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1C[NH+](CCC1NC(=O)[C@@H]2CC3=C(O2)C=CC(=C3)Cl)CC4=CC=CC=C4

DOS

IR

Vibrations