Geometry & MOs

Info

ID:	368093
PubChem CID:	127327469
Reduced:	OSN5C11H13 (1)
Stoich.:	ABC5D11E13 (1)
Weight, g/mol:	338.221895
ΔH_f, kcal/mol:	80.91
Dipole, Da:	3.51
IP(EA), eV:	-8.7(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-6-methylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C2CC2)N3C=NN=C3S(=O)C

DOS

IR

Vibrations