Geometry & MOs

Info

ID:	439326
PubChem CID:	135229097
Reduced:	N3O3C15H17 (1)
Stoich.:	A3B3C15D17 (1)
Weight, g/mol:	332.23246
ΔH_f, kcal/mol:	-41.77
Dipole, Da:	1.38
IP(EA), eV:	-8.47(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1,5-dimethylpyrazol-3-yl)methoxy]-4-N-heptan-3-ylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CNC1=NC=C(C=N1)OCCCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations