Geometry & MOs

Info

ID:	126159
PubChem CID:	50953976
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	278.210661
ΔH_f, kcal/mol:	-4.15
Dipole, Da:	5.08
IP(EA), eV:	-9.29(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(6-methyl-2-propylpyrimidin-4-yl)amino]ethyl]piperidin-4-ol

Drug info:

PubChemData

Smile

CC1=NC=C(C(=O)N1)C(=O)N(CC#CC2=CC=CC=C2)CC(C)C

DOS

IR

Vibrations