Geometry & MOs

Info

ID:	266551
PubChem CID:	103570494
Reduced:	N5C11H15 (1)
Stoich.:	A5B11C15 (1)
Weight, g/mol:	309.05891
ΔH_f, kcal/mol:	57.36
Dipole, Da:	2.53
IP(EA), eV:	-9.0(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-(1-ethylpyrazol-4-yl)-6-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCC1=CC(=NC(=N1)C2=CN(N=C2)CC)N

DOS

IR

Vibrations