Geometry & MOs

Info

ID:	184550
PubChem CID:	77174976
Reduced:	FON2C18H23 (1)
Stoich.:	ABC2D18E23 (1)
Weight, g/mol:	538.199839
ΔH_f, kcal/mol:	-36.01
Dipole, Da:	2.73
IP(EA), eV:	-9.41(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[4-(3,4-dihydroxypiperidin-4-yl)-2-methoxyanilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

C=CCN(CC=C)C(=O)C1CCC1C(C2=CC(=CC=C2)F)N

DOS

IR

Vibrations