Geometry & MOs

Info

ID:	209192
PubChem CID:	80637498
Reduced:	ON2C15H16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	377.04227
ΔH_f, kcal/mol:	16.19
Dipole, Da:	5.57
IP(EA), eV:	-8.75(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-N-methyl-6-propyl-2-(thian-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN(C1=CC=C(C=C1)C)C2=NC=C(C=C2)C=O

DOS

IR

Vibrations