Geometry & MOs

Info

ID:	368083
PubChem CID:	127327288
Reduced:	N4O4C21H24 (1)
Stoich.:	A4B4C21D24 (1)
Weight, g/mol:	372.161997
ΔH_f, kcal/mol:	-85.91
Dipole, Da:	10.63
IP(EA), eV:	-8.87(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)C3CCCN3C(=O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations