Geometry & MOs

Info

ID:	344614
PubChem CID:	127268198
Reduced:	N7C15H21 (1)
Stoich.:	A7B15C21 (1)
Weight, g/mol:	299.185844
ΔH_f, kcal/mol:	117.38
Dipole, Da:	4.52
IP(EA), eV:	-8.73(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridazine

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN3CCN(CC3)C4=NN=CC=C4

DOS

IR

Vibrations