Geometry & MOs

Info

ID:	370554
PubChem CID:	127339689
Reduced:	OSN5C18H27 (1)
Stoich.:	ABC5D18E27 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	1.88
Dipole, Da:	3.11
IP(EA), eV:	-8.23(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1-methylpyrazol-4-yl)piperidin-1-yl]-(3,4,7-trimethyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)N1C=CN=C1SCC(=O)N2CCC(CC2)C3=CN(N=C3)C

DOS

IR

Vibrations