Geometry & MOs

Info

ID:	325292
PubChem CID:	126682505
Reduced:	O3N6C21H26 (1)
Stoich.:	A3B6C21D26 (1)
Weight, g/mol:	438.201553
ΔH_f, kcal/mol:	-71.85
Dipole, Da:	9.7
IP(EA), eV:	-8.75(-0.8)
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]-7-methyl-1H-pyrrolo[2,1-f][1,2,4]triazin-4-one

Drug info:

PubChemData

Smile

CC1=NC=C2N1C=C(NC2=O)CCCC(=O)N3CCC(CC3)C(=O)C4=CN=CN4C

DOS

IR

Vibrations