Geometry & MOs

Info

ID:	286823
PubChem CID:	104222534
Reduced:	IN5C8H8 (1)
Stoich.:	AB5C8D8 (1)
Weight, g/mol:	357.04504
ΔH_f, kcal/mol:	119.79
Dipole, Da:	4.85
IP(EA), eV:	-9.34(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-iodopyrazol-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

C1=C(C=NC(=N1)N2C=C(C=N2)I)CN

DOS

IR

Vibrations