Geometry & MOs

Info

ID:	370632
PubChem CID:	127339788
Reduced:	ON4C23H28 (1)
Stoich.:	AB4C23D28 (1)
Weight, g/mol:	387.194677
ΔH_f, kcal/mol:	5.25
Dipole, Da:	1.58
IP(EA), eV:	-8.21(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(3-methylbenzo[g][1]benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C3=CC=CC4=C3NC5=C4CCCC5

DOS

IR

Vibrations