Geometry & MOs

Info

ID:	129728
PubChem CID:	51073655
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-35.57
Dipole, Da:	5.56
IP(EA), eV:	-9.36(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylpyrazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN=C(O2)CCC(=O)N(C)OC

DOS

IR

Vibrations