Geometry & MOs

Info

ID:	208248
PubChem CID:	80508288
Reduced:	N5C16H19 (1)
Stoich.:	A5B16C19 (1)
Weight, g/mol:	299.13578
ΔH_f, kcal/mol:	97.98
Dipole, Da:	2.04
IP(EA), eV:	-8.77(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5,6-diethyl-3-[4-(trifluoromethyl)pyrazol-1-yl]pyridazin-4-yl]methanamine

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1CN)N2C3=CC=CC=C3C=N2)CC

DOS

IR

Vibrations