Geometry & MOs

Info

ID:	286880
PubChem CID:	104223357
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	312.96175
ΔH_f, kcal/mol:	-5.46
Dipole, Da:	5.24
IP(EA), eV:	-9.59(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-bromo-2-chlorophenoxy)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

COCC1=CC(=CC=C1)OC2=NC=C(C=N2)CN

DOS

IR

Vibrations