Geometry & MOs

Info

ID:	370133
PubChem CID:	127337504
Reduced:	ON7C16H23 (1)
Stoich.:	AB7C16D23 (1)
Weight, g/mol:	341.171256
ΔH_f, kcal/mol:	31.93
Dipole, Da:	9.28
IP(EA), eV:	-8.39(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methylpyrazol-4-yl)methyl]-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=C(C=C1)N2CCCC(C2)NC(=O)NCC3=CN(N=C3)C

DOS

IR

Vibrations