Geometry & MOs

Info

ID:	291503
PubChem CID:	112899579
Reduced:	N4O4C21H22 (1)
Stoich.:	A4B4C21D22 (1)
Weight, g/mol:	310.215747
ΔH_f, kcal/mol:	-73.87
Dipole, Da:	2.65
IP(EA), eV:	-8.39(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-4-(2-ethylpiperidin-1-yl)-N-phenylpyrimidin-2-amine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCNC2=NC=CC(=N2)NC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations