Geometry & MOs

Info

ID:	330096
PubChem CID:	127247083
Reduced:	OSN3C14H17 (1)
Stoich.:	ABC3D14E17 (1)
Weight, g/mol:	275.109233
ΔH_f, kcal/mol:	6.33
Dipole, Da:	5.24
IP(EA), eV:	-9.44(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(=O)N2CCC(C2)C3=CC=NN3

DOS

IR

Vibrations