Geometry & MOs

Info

ID:	207699
PubChem CID:	80439474
Reduced:	N5C14H19 (1)
Stoich.:	A5B14C19 (1)
Weight, g/mol:	323.06332
ΔH_f, kcal/mol:	65.98
Dipole, Da:	5.65
IP(EA), eV:	-9.05(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-ethyl-2-(furan-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=NC(=N1)C2=CN=CN2C3CC3)N

DOS

IR

Vibrations