Geometry & MOs

Info

ID:	330147
PubChem CID:	127247134
Reduced:	N5C15H23 (1)
Stoich.:	A5B15C23 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	54.67
Dipole, Da:	3.51
IP(EA), eV:	-9.22(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)CC3=CC=NN3C(C)C

DOS

IR

Vibrations