Geometry & MOs

Info

ID:	330432
PubChem CID:	127247419
Reduced:	ON2C8H10 (2)
Stoich.:	AB2C8D10 (2)
Weight, g/mol:	300.158626
ΔH_f, kcal/mol:	-50.97
Dipole, Da:	9.88
IP(EA), eV:	-9.21(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxypyridin-3-yl)-[3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(NC(=O)C(=C1)C(=O)N2CCCC(C2)C3=CC=NN3)C

DOS

IR

Vibrations