Geometry & MOs

Info

ID:	210712
PubChem CID:	80843944
Reduced:	SN5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	282.04801
ΔH_f, kcal/mol:	49.84
Dipole, Da:	2.11
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-cyclopropyl-4-N-(cyclopropylmethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=CC(=NC=N1)NC(CC)C2=NC=CS2

DOS

IR

Vibrations