Geometry & MOs

Info

ID:	1569
PubChem CID:	4707
Reduced:	BrN5H12C14 (1)
Stoich.:	AB5C12D14 (1)
Weight, g/mol:	329.02761
ΔH_f, kcal/mol:	99.91
Dipole, Da:	5.62
IP(EA), eV:	-8.54(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(3-bromophenyl)-6-N-methylpyrido[3,4-d]pyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CNC1=NC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br

DOS

IR

Vibrations