Geometry & MOs

Info

ID:	288355
PubChem CID:	104315406
Reduced:	BrN4C16H19 (1)
Stoich.:	AB4C16D19 (1)
Weight, g/mol:	459.97596
ΔH_f, kcal/mol:	46.95
Dipole, Da:	2.28
IP(EA), eV:	-8.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromopyridin-2-yl)-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC2=C1CCCCC2)C3=C(C=CC=N3)Br

DOS

IR

Vibrations