Geometry & MOs

Info

ID:	197342
PubChem CID:	78953506
Reduced:	ON2C10H22 (1)
Stoich.:	AB2C10D22 (1)
Weight, g/mol:	291.03711
ΔH_f, kcal/mol:	-63.75
Dipole, Da:	2.75
IP(EA), eV:	-8.55(2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-(2-methylphenyl)ethyl]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)OCCN

DOS

IR

Vibrations