Geometry & MOs

Info

ID:	417107
PubChem CID:	135091387
Reduced:	O4N6C19H22 (1)
Stoich.:	A4B6C19D22 (1)
Weight, g/mol:	310.190595
ΔH_f, kcal/mol:	-43.03
Dipole, Da:	4.6
IP(EA), eV:	-9.08(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3-indazol-1-ylpropyl)-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CN1C(=NNC1=O)CCNC(=O)C2=C(ON=C2N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations