Geometry & MOs

Info

ID:	178905
PubChem CID:	76399885
Reduced:	FO2N4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	366.216809
ΔH_f, kcal/mol:	-105.44
Dipole, Da:	4.16
IP(EA), eV:	-9.18(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CN1CC(CC1=O)C(=O)N2CCC3C(C2)C(NN3)C4=CC(=CC=C4)F

DOS

IR

Vibrations