Geometry & MOs

Info

ID:	286837
PubChem CID:	104223139
Reduced:	Cl2O2N3C14H15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-19.64
Dipole, Da:	6.86
IP(EA), eV:	-9.4(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methyl-5-propan-2-ylphenoxy)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

COCCNCC1=CN=C(N=C1)OC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations