Geometry & MOs

Info

ID:	286857
PubChem CID:	104223264
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	291.11384
ΔH_f, kcal/mol:	5.24
Dipole, Da:	2.92
IP(EA), eV:	-9.04(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2-chloro-4-methylphenoxy)pyrimidin-5-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)OC2=NC=C(C=N2)CNC(C)C

DOS

IR

Vibrations