Geometry & MOs

Info

ID:	211376
PubChem CID:	80941489
Reduced:	BrFN4C14H16 (1)
Stoich.:	ABC4D14E16 (1)
Weight, g/mol:	265.179027
ΔH_f, kcal/mol:	-4.17
Dipole, Da:	6.34
IP(EA), eV:	-8.76(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,2-diethyl-6-(oxan-4-ylmethoxy)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=N1)NC2=CC(=C(C=C2)Br)F)NCC

DOS

IR

Vibrations