Geometry & MOs

Info

ID:	207666
PubChem CID:	80434838
Reduced:	BrO2N3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	412.02032
ΔH_f, kcal/mol:	-69.69
Dipole, Da:	12.22
IP(EA), eV:	-9.18(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-iodo-6-(2-methylpropyl)-2-(1-phenylcyclopropyl)pyrimidine

Drug info:

PubChemData

Smile

CC(C)CC1=C(C(=O)N=C(N1)C2CN3CCCC3CO2)Br

DOS

IR

Vibrations