Geometry & MOs

Info

ID:	204428
PubChem CID:	79965260
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	275.160932
ΔH_f, kcal/mol:	-45.8
Dipole, Da:	5.76
IP(EA), eV:	-8.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-5-methyl-N-propyl-2-(3,3,3-trifluoropropyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC2=NC3=C(O2)C=CC(=C3)N

DOS

IR

Vibrations