Geometry & MOs

Info

ID:	377746
PubChem CID:	134223810
Reduced:	ON2C17H22 (1)
Stoich.:	AB2C17D22 (1)
Weight, g/mol:	299.97596
ΔH_f, kcal/mol:	-31.18
Dipole, Da:	5.83
IP(EA), eV:	-8.94(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-iodo-5-methyl-4-(3-methylfuran-2-yl)pyrimidine

Drug info:

PubChemData

Smile

CC1(CCC[C@@H](C1)C(=O)NC2=CC=C(C=C2)CC#N)C

DOS

IR

Vibrations