Geometry & MOs

Info

ID:	266579
PubChem CID:	103573061
Reduced:	IN5C15H20 (1)
Stoich.:	AB5C15D20 (1)
Weight, g/mol:	255.11384
ΔH_f, kcal/mol:	89.47
Dipole, Da:	5.37
IP(EA), eV:	-8.75(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-2-(1-propylpyrazol-4-yl)-1-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

CCCN1C=C(C=N1)C2=NC(=C(C(=N2)NCC)I)C3CC3

DOS

IR

Vibrations