Geometry & MOs

Info

ID:	208246
PubChem CID:	80508286
Reduced:	N5C16H25 (1)
Stoich.:	A5B16C25 (1)
Weight, g/mol:	299.13578
ΔH_f, kcal/mol:	46.69
Dipole, Da:	2.03
IP(EA), eV:	-8.87(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N(N=C1C)C2=C(C(=C(N=N2)CC)CC)CN)C

DOS

IR

Vibrations