Geometry & MOs

Info

ID:	368331
PubChem CID:	127327924
Reduced:	ON5C13H17 (1)
Stoich.:	AB5C13D17 (1)
Weight, g/mol:	318.115047
ΔH_f, kcal/mol:	20.36
Dipole, Da:	4.38
IP(EA), eV:	-9.23(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(N1)C(=O)N2CCC(C2)C3=CN(N=C3)C

DOS

IR

Vibrations