Geometry & MOs

Info

ID:	419101
PubChem CID:	135107515
Reduced:	FOSN4C19H19 (1)
Stoich.:	ABCD4E19F19 (1)
Weight, g/mol:	302.210661
ΔH_f, kcal/mol:	-5.39
Dipole, Da:	3.9
IP(EA), eV:	-8.96(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)N3CCCC3C4=NC=CS4

DOS

IR

Vibrations