Geometry & MOs

Info

ID:	161732
PubChem CID:	57392471
Reduced:	ON3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	553.227137
ΔH_f, kcal/mol:	-9.0
Dipole, Da:	3.02
IP(EA), eV:	-8.46(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[3-fluoro-4-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CCN2C(=CC3=C2N=CC=C3)C4CCCO4

DOS

IR

Vibrations