Geometry & MOs

Info

ID:	361420
PubChem CID:	127303318
Reduced:	N7C16H25 (1)
Stoich.:	A7B16C25 (1)
Weight, g/mol:	357.252861
ΔH_f, kcal/mol:	77.53
Dipole, Da:	6.25
IP(EA), eV:	-8.62(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC(=CN=C2)NCC3CN(CCN3C)C)C

DOS

IR

Vibrations