Geometry & MOs

Info

ID:	296087
PubChem CID:	117555706
Reduced:	ON4C13H14 (1)
Stoich.:	AB4C13D14 (1)
Weight, g/mol:	292.03236
ΔH_f, kcal/mol:	26.18
Dipole, Da:	5.81
IP(EA), eV:	-9.11(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(aminomethyl)-N-(4-bromo-2-methylphenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)NC2=NC(=NC=C2)CN

DOS

IR

Vibrations