Geometry & MOs

Info

ID:	286781
PubChem CID:	104222367
Reduced:	N5C11H15 (1)
Stoich.:	A5B11C15 (1)
Weight, g/mol:	259.179696
ΔH_f, kcal/mol:	82.48
Dipole, Da:	4.66
IP(EA), eV:	-9.1(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=NC=C(C=N2)CNC)C

DOS

IR

Vibrations