Geometry & MOs

Info

ID:	286836
PubChem CID:	104223137
Reduced:	OCl2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	327.054132
ΔH_f, kcal/mol:	1.98
Dipole, Da:	5.19
IP(EA), eV:	-9.34(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3,4-dichlorophenoxy)pyrimidin-5-yl]methyl]-2-methoxyethanamine

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CN=C(N=C1)OC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations