Geometry & MOs

Info

ID:	126822
PubChem CID:	50980141
Reduced:	ON6C20H26 (1)
Stoich.:	AB6C20D26 (1)
Weight, g/mol:	293.221561
ΔH_f, kcal/mol:	36.39
Dipole, Da:	4.51
IP(EA), eV:	-9.13(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(dimethylamino)methyl]-1-[4-(dimethylamino)-5-methylpyrimidin-2-yl]piperidin-4-ol

Drug info:

PubChemData

Smile

CCN1C=CN=C1CN2C(=O)N(C(=N2)CC3CCNCC3)C4=CC=CC=C4

DOS

IR

Vibrations