Geometry & MOs

Info

ID:	286897
PubChem CID:	104223424
Reduced:	ClON3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	416.95105
ΔH_f, kcal/mol:	12.3
Dipole, Da:	4.1
IP(EA), eV:	-9.32(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2,5-dibromo-4-methoxyphenoxy)pyrimidin-5-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations