Geometry & MOs

Info

ID:	207900
PubChem CID:	80466697
Reduced:	IN3C11H16 (1)
Stoich.:	AB3C11D16 (1)
Weight, g/mol:	331.05454
ΔH_f, kcal/mol:	42.05
Dipole, Da:	2.12
IP(EA), eV:	-9.21(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations