Geometry & MOs

Info

ID:	370699
PubChem CID:	127339891
Reduced:	ON7C16H19 (1)
Stoich.:	AB7C16D19 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	79.08
Dipole, Da:	4.99
IP(EA), eV:	-9.48(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dimethyl-1-benzofuran-3-yl)-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=NC2=NC(=NN12)C(=O)N3CCC(CC3)C4=CC=NN4C

DOS

IR

Vibrations