Geometry & MOs

Info

ID:	357532
PubChem CID:	127294177
Reduced:	O3N5C19H27 (1)
Stoich.:	A3B5C19D27 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-93.89
Dipole, Da:	4.04
IP(EA), eV:	-8.93(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-benzofuran-2-yl)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C2CCCN2C(=O)CN3C(=O)C(NC3=O)(C)C4CC4

DOS

IR

Vibrations