Geometry & MOs

Info

ID:	330088
PubChem CID:	127247075
Reduced:	ON4C14H16 (1)
Stoich.:	AB4C14D16 (1)
Weight, g/mol:	259.14331
ΔH_f, kcal/mol:	22.44
Dipole, Da:	2.61
IP(EA), eV:	-9.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylpyrazol-4-yl)-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(=O)N2CCC(C2)C3=CC=NN3

DOS

IR

Vibrations