Geometry & MOs

Info

ID:	330132
PubChem CID:	127247119
Reduced:	O2N5H15C16 (1)
Stoich.:	A2B5C15D16 (1)
Weight, g/mol:	309.147727
ΔH_f, kcal/mol:	12.61
Dipole, Da:	1.93
IP(EA), eV:	-9.65(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methyl-1-benzofuran-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=CC=NN2)C(=O)C3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations