Geometry & MOs

Info

ID:	325293
PubChem CID:	126682511
Reduced:	O2N3C11H13 (2)
Stoich.:	A2B3C11D13 (2)
Weight, g/mol:	438.201553
ΔH_f, kcal/mol:	-56.33
Dipole, Da:	10.28
IP(EA), eV:	-9.13(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[4-(6-methoxypyridazine-3-carbonyl)piperidin-1-yl]-4-oxobutyl]-6-methyl-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C2N1NC(=NC2=O)CCCC(=O)N3CCC(CC3)C(=O)C4=NN=C(C=C4)OC

DOS

IR

Vibrations