Geometry & MOs

Info

ID:	161069
PubChem CID:	57390669
Reduced:	ON3C13H15 (2)
Stoich.:	AB3C13D15 (2)
Weight, g/mol:	525.171372
ΔH_f, kcal/mol:	44.79
Dipole, Da:	2.51
IP(EA), eV:	-8.03(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[3-chloro-4-(4-methylpiperazin-1-yl)anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

C[C@@H](CN1CCN(CC1)C2=CC=CC(=C2)NC3=NN4C(=CC=C4C5=CC=CC=C5OC)C=N3)O

DOS

IR

Vibrations