Geometry & MOs

Info

ID:	330164
PubChem CID:	127247151
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	14.5
Dipole, Da:	3.5
IP(EA), eV:	-9.53(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxypyridin-3-yl)-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NN=C1)C2CCN(C2)C(=O)C3=CN=C(N=C3)C(C)C

DOS

IR

Vibrations