Geometry & MOs

Info

ID:	256480
PubChem CID:	103139508
Reduced:	ClON2C15H25 (1)
Stoich.:	ABC2D15E25 (1)
Weight, g/mol:	279.137162
ΔH_f, kcal/mol:	-68.41
Dipole, Da:	1.73
IP(EA), eV:	-9.17(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-6-methylpyridazin-4-yl)-isoquinolin-8-ylmethanol

Drug info:

PubChemData

Smile

CCC1=C(C(=NN1CC2CCC(O2)C)CC)C(C)Cl

DOS

IR

Vibrations