Geometry & MOs

Info

ID:	423766
PubChem CID:	135120173
Reduced:	SN3O4C20H25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	300.195011
ΔH_f, kcal/mol:	-133.85
Dipole, Da:	7.38
IP(EA), eV:	-9.43(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[1-(4-methoxy-3-methylphenyl)ethyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)S(=O)(=O)N3CC[C@]4(CCCN([C@@H]4C3)C)C(=O)O)N=CC=C2

DOS

IR

Vibrations