Geometry & MOs

Info

ID:	296225
PubChem CID:	117561601
Reduced:	BrN5C13H14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	333.05891
ΔH_f, kcal/mol:	62.15
Dipole, Da:	1.61
IP(EA), eV:	-8.64(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-bromo-4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1CNCC2=C1N=C(N=C2NC3=CC=CC=C3Br)N

DOS

IR

Vibrations