Geometry & MOs

Info

ID:	198269
PubChem CID:	79078334
Reduced:	O2N5C12H15 (1)
Stoich.:	A2B5C12D15 (1)
Weight, g/mol:	222.067224
ΔH_f, kcal/mol:	23.61
Dipole, Da:	1.43
IP(EA), eV:	-8.89(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(2-propylpyrazol-3-yl)pyrimidine

Drug info:

PubChemData

Smile

CN1CCOC(C1)C2=NOC(=N2)C3=CC(=NC=C3)N

DOS

IR

Vibrations