Geometry & MOs

Info

ID:	204486
PubChem CID:	79971131
Reduced:	BrClN2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	395.98902
ΔH_f, kcal/mol:	93.21
Dipole, Da:	2.25
IP(EA), eV:	-9.36(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-cyclopropyl-2-(3-cyclopropylphenyl)-5-iodopyrimidine

Drug info:

PubChemData

Smile

C1CC1C2=CC=C(C=C2)C3=NC(=C(C(=N3)Cl)Br)C4CC4

DOS

IR

Vibrations