Geometry & MOs

Info

ID:	207902
PubChem CID:	80466732
Reduced:	IN3C13H20 (1)
Stoich.:	AB3C13D20 (1)
Weight, g/mol:	333.03381
ΔH_f, kcal/mol:	34.64
Dipole, Da:	2.95
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-6-(methoxymethyl)-N-methyl-2-(1-methylcyclopropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCC1=C(C(=NC(=N1)C2(CC2)C)NCC)I

DOS

IR

Vibrations