Geometry & MOs

Info

ID:	210124
PubChem CID:	80766464
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	266.156518
ΔH_f, kcal/mol:	-28.12
Dipole, Da:	4.11
IP(EA), eV:	-8.27(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-6-(2-methylpiperidin-1-yl)-2-methylsulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCNC1=C(C(=CC=C1)NC(C)CC)[N+](=O)[O-]

DOS

IR

Vibrations