Geometry & MOs

Info

ID:	231388
PubChem CID:	87573604
Reduced:	OCl2N5C21H29 (1)
Stoich.:	AB2C5D21E29 (1)
Weight, g/mol:	409.118473
ΔH_f, kcal/mol:	-28.25
Dipole, Da:	4.02
IP(EA), eV:	-8.69(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-amino-2-methylpropan-2-yl)pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)CN2CCC(CC2)NC3=NC(=CC(=N3)Cl)NC(C)C)Cl

DOS

IR

Vibrations