Geometry & MOs

Info

ID:	62829
PubChem CID:	26737055
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	301.086956
ΔH_f, kcal/mol:	-36.5
Dipole, Da:	5.38
IP(EA), eV:	-8.86(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-chloro-N-(3-ethylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N4CCCC4=N3

DOS

IR

Vibrations