Geometry & MOs

Info

ID:	207695
PubChem CID:	80439311
Reduced:	N5C15H23 (1)
Stoich.:	A5B15C23 (1)
Weight, g/mol:	373.00151
ΔH_f, kcal/mol:	31.29
Dipole, Da:	5.72
IP(EA), eV:	-8.82(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1)CC(C)C)C2=CN=CN2CC

DOS

IR

Vibrations