Geometry & MOs

Info

ID:	209383
PubChem CID:	80662934
Reduced:	BrNO2C10H16 (1)
Stoich.:	ABC2D10E16 (1)
Weight, g/mol:	285.184112
ΔH_f, kcal/mol:	-112.99
Dipole, Da:	5.79
IP(EA), eV:	-9.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,6-dimethyl-2-[(3-methyl-4-propan-2-ylphenoxy)methyl]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CC(C(C1)Br)NC(=O)C2CCOC2

DOS

IR

Vibrations