Geometry & MOs

Info

ID:	286884
PubChem CID:	104223383
Reduced:	ClON4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	414.97179
ΔH_f, kcal/mol:	22.79
Dipole, Da:	4.78
IP(EA), eV:	-9.28(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(2,4-dibromophenoxy)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations