Geometry & MOs

Info

ID:	370720
PubChem CID:	127339983
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	365.210327
ΔH_f, kcal/mol:	-48.53
Dipole, Da:	5.67
IP(EA), eV:	-9.24(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-methyl-5-propan-2-yl-1-benzofuran-3-yl)-1-[4-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CCC(C)C1=CC=CC=C1N2CC(CC2=O)C(=O)N3CCC(CC3)C4=CC=NN4

DOS

IR

Vibrations