Geometry & MOs

Info

ID:	328112
PubChem CID:	126692103
Reduced:	N4O5F6H32C35 (1)
Stoich.:	A4B5C6D32E35 (1)
Weight, g/mol:	150.090546
ΔH_f, kcal/mol:	-395.59
Dipole, Da:	4.42
IP(EA), eV:	-8.79(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-5-(methyliminomethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C/C=C(\N=C(\CN1[C@H]([C@H](OC1=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C)/C(=C)C3=C(C=CC(=C3)C4=CN=C(C=C4)C(=O)O)OC)/N5CCC5

DOS

IR

Vibrations