Geometry & MOs

Info

ID:	357867
PubChem CID:	127295367
Reduced:	SO2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	359.268511
ΔH_f, kcal/mol:	-70.26
Dipole, Da:	7.46
IP(EA), eV:	-8.61(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)N3CCCCC(C3)N4CCCC4

DOS

IR

Vibrations