Geometry & MOs

Info

ID:	335948
PubChem CID:	127254955
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	383.159354
ΔH_f, kcal/mol:	-13.39
Dipole, Da:	5.07
IP(EA), eV:	-8.16(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoylamino]benzoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C=C2)CC(=O)NCCC3=CNC4=C3C=C(C=C4)OC

DOS

IR

Vibrations