Geometry & MOs

Info

ID:	69738
PubChem CID:	47205306
Reduced:	ON5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	243.100777
ΔH_f, kcal/mol:	53.15
Dipole, Da:	6.86
IP(EA), eV:	-9.62(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-pyrazol-5-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=CC(=NN2)C(=O)NCC3=CC=NN3

DOS

IR

Vibrations