Geometry & MOs

Info

ID:	286834
PubChem CID:	104223135
Reduced:	OCl2N3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	269.012267
ΔH_f, kcal/mol:	16.04
Dipole, Da:	4.72
IP(EA), eV:	-9.4(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dichlorophenoxy)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)OC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations