Geometry & MOs

Info

ID:	148899
PubChem CID:	53788569
Reduced:	N3C11H11 (2)
Stoich.:	A3B11C11 (2)
Weight, g/mol:	236.106196
ΔH_f, kcal/mol:	158.57
Dipole, Da:	5.69
IP(EA), eV:	-8.68(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(2-phenylpyrazol-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C=C

DOS

IR

Vibrations