Geometry & MOs

Info

ID:	210426
PubChem CID:	80804731
Reduced:	FON5C9H14 (1)
Stoich.:	ABC5D9E14 (1)
Weight, g/mol:	277.226646
ΔH_f, kcal/mol:	-50.39
Dipole, Da:	4.83
IP(EA), eV:	-9.06(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-4-N-(2-piperidin-1-ylethyl)-2-N-propylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC(=O)CN(C)C1=NC(=NC=C1F)N

DOS

IR

Vibrations