Geometry & MOs

Info

ID:	310255
PubChem CID:	126577428
Reduced:	N3C4H5 (2)
Stoich.:	A3B4C5 (2)
Weight, g/mol:	438.183795
ΔH_f, kcal/mol:	88.63
Dipole, Da:	0.53
IP(EA), eV:	-8.63(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-aminopiperidin-1-yl)sulfonyl-2-methylphenyl]-4-(2-methylpyridin-4-yl)pyrimidin-5-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=N1)C2=NNN=C2C)N

DOS

IR

Vibrations