Geometry & MOs

Info

ID:	208262
PubChem CID:	80508302
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	293.140723
ΔH_f, kcal/mol:	-2.05
Dipole, Da:	1.61
IP(EA), eV:	-9.03(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(4-chloro-3,5-dimethylpyrazol-1-yl)-5,6-diethylpyridazin-4-yl]methanamine

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1CN)OC2=CC(=CC(=C2)C)C)CC

DOS

IR

Vibrations