Geometry & MOs

Info

ID:	255759
PubChem CID:	103134570
Reduced:	ClO5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	273.195346
ΔH_f, kcal/mol:	-201.77
Dipole, Da:	3.34
IP(EA), eV:	-9.27(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-ethyl-6-methylpyridazin-4-yl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)COC2=C(C=C(C=C2OC)Cl)C(=O)O

DOS

IR

Vibrations