Geometry & MOs

Info

ID:	370645
PubChem CID:	127339804
Reduced:	ON5C19H29 (1)
Stoich.:	AB5C19D29 (1)
Weight, g/mol:	337.179027
ΔH_f, kcal/mol:	-3.75
Dipole, Da:	4.41
IP(EA), eV:	-8.9(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(7-methyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2CCN(CC2)C(=O)C(C)C3=C(N(N=C3C)C)C

DOS

IR

Vibrations