Geometry & MOs

Info

ID:	330111
PubChem CID:	127247098
Reduced:	O2N3C17H17 (1)
Stoich.:	A2B3C17D17 (1)
Weight, g/mol:	295.132077
ΔH_f, kcal/mol:	-0.96
Dipole, Da:	4.83
IP(EA), eV:	-9.26(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-1-benzofuran-5-yl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(=O)N3CCC(C3)C4=CC=NN4

DOS

IR

Vibrations