Geometry & MOs

Info

ID:	210388
PubChem CID:	80798014
Reduced:	ON5C14H15 (1)
Stoich.:	AB5C14D15 (1)
Weight, g/mol:	308.02727
ΔH_f, kcal/mol:	47.04
Dipole, Da:	2.67
IP(EA), eV:	-8.23(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-[(3-methoxyphenyl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC2=NC(=CN3C2=NC=C3)N

DOS

IR

Vibrations