Geometry & MOs

Info

ID:	310181
PubChem CID:	126576286
Reduced:	NC9H15 (1)
Stoich.:	AB9C15 (1)
Weight, g/mol:	262.154209
ΔH_f, kcal/mol:	27.61
Dipole, Da:	2.82
IP(EA), eV:	-8.62(0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[4-[[4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1CC2=CCC(C1)(C2)N

DOS

IR

Vibrations