Geometry & MOs

Info

ID:	155538
PubChem CID:	56365874
Reduced:	O2N5C30H33 (1)
Stoich.:	A2B5C30D33 (1)
Weight, g/mol:	424.193297
ΔH_f, kcal/mol:	13.63
Dipole, Da:	3.75
IP(EA), eV:	-9.36(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzoylpiperidin-4-yl)-1,3-dimethyl-N-propylthieno[2,3-c]pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CCCN(C1CCN(CC1)C(=O)C2=CC=CC=C2)C(=O)C3=CC(=NC4=C3C=NN4CC)C5=CC=CC=C5

DOS

IR

Vibrations