Geometry & MOs

Info

ID:	370594
PubChem CID:	127339732
Reduced:	O2N5C18H19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	386.177647
ΔH_f, kcal/mol:	6.68
Dipole, Da:	5.06
IP(EA), eV:	-9.33(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(CC2)C(=O)C3=NNC(=O)C4=CC=CC=C43

DOS

IR

Vibrations