Geometry & MOs

Info

ID:	370084
PubChem CID:	127337385
Reduced:	O2N3C21H37 (1)
Stoich.:	A2B3C21D37 (1)
Weight, g/mol:	383.243359
ΔH_f, kcal/mol:	-127.48
Dipole, Da:	3.62
IP(EA), eV:	-8.97(1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2)NC(=O)NC3CCN(CC3)CC4CCOC4)C)C

DOS

IR

Vibrations