Geometry & MOs

Info

ID:	210414
PubChem CID:	80803387
Reduced:	OSN5C9H15 (1)
Stoich.:	ABC5D9E15 (1)
Weight, g/mol:	296.03851
ΔH_f, kcal/mol:	-21.04
Dipole, Da:	4.02
IP(EA), eV:	-8.85(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-N-(2-imidazol-1-ylethyl)-2-N-methylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C(=O)NC)NC1=NC(=NC(=C1)N)SC

DOS

IR

Vibrations