Geometry & MOs

Info

ID:	209196
PubChem CID:	80637857
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	377.04227
ΔH_f, kcal/mol:	-72.08
Dipole, Da:	6.39
IP(EA), eV:	-9.09(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=NC=C(C=C2C)/C=C/C(=O)O)C

DOS

IR

Vibrations