Geometry & MOs

Info

ID:	370107
PubChem CID:	127337448
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	345.191323
ΔH_f, kcal/mol:	-6.63
Dipole, Da:	1.68
IP(EA), eV:	-8.65(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC2=CC=CC=C12)C(C)NC(=O)N(C)C3CCCN(C3)C4=NN=CC=C4

DOS

IR

Vibrations