Geometry & MOs

Info

ID:	361346
PubChem CID:	127302655
Reduced:	N5C16H21 (1)
Stoich.:	A5B16C21 (1)
Weight, g/mol:	387.263425
ΔH_f, kcal/mol:	67.87
Dipole, Da:	6.52
IP(EA), eV:	-8.88(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-1-[4-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

C1CCN2C=C(N=C2C1)CCNC3=NC(=NC=C3)C4CC4

DOS

IR

Vibrations