Geometry & MOs

Info

ID:	357865
PubChem CID:	127295365
Reduced:	ON6C16H24 (1)
Stoich.:	AB6C16D24 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	36.99
Dipole, Da:	5.94
IP(EA), eV:	-8.45(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[6-(3-pyrrolidin-1-ylazepan-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

CN1C2=NC(=NC(=O)C2=CN1)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations