Geometry & MOs

Info

ID:	255444
PubChem CID:	103132076
Reduced:	N5C10H13 (1)
Stoich.:	A5B10C13 (1)
Weight, g/mol:	217.132746
ΔH_f, kcal/mol:	87.5
Dipole, Da:	2.96
IP(EA), eV:	-8.28(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-methylpyrazol-3-yl)-5-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NN=C(C=C1)C2=NN(C=C2)C

DOS

IR

Vibrations