Geometry & MOs

Info

ID:	6496
PubChem CID:	68760
Reduced:	BrO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	338.03784
ΔH_f, kcal/mol:	-22.03
Dipole, Da:	4.48
IP(EA), eV:	-8.86(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1Br)OC)CC2=CN=C(N=C2N)N

DOS

IR

Vibrations