Geometry & MOs

Info

ID:	255140
PubChem CID:	103130275
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	204.101111
ΔH_f, kcal/mol:	43.69
Dipole, Da:	5.3
IP(EA), eV:	-9.66(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-3-yl)-(2-methylpyrimidin-4-yl)methanol

Drug info:

PubChemData

Smile

CC(C1=NN(C=C1)C)(C2=CC=CC(=C2)C#N)O

DOS

IR

Vibrations