Geometry & MOs

Info

ID:	126578
PubChem CID:	50968518
Reduced:	SN2O3C17H24 (1)
Stoich.:	AB2C3D17E24 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-115.2
Dipole, Da:	7.13
IP(EA), eV:	-9.03(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methoxyethyl)-2,3-dihydro-1-benzofuran-7-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CC=C(C=C2)C(=O)N3CCS(=O)(=O)CC3

DOS

IR

Vibrations