Geometry & MOs

Info

ID:	445664
PubChem CID:	135268824
Reduced:	N4O5C19H26 (1)
Stoich.:	A4B5C19D26 (1)
Weight, g/mol:	506.152097
ΔH_f, kcal/mol:	-163.2
Dipole, Da:	3.87
IP(EA), eV:	-8.76(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-chloro-5-(3-ethenyl-7-morpholin-4-ylquinolin-4-yl)-4-fluorophenyl]-hydroxymethyl]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CC1C(C=CC(=N1)CN2C(=CC3=C2C(=O)N(C(=O)N3C)CCCO)OC)OC

DOS

IR

Vibrations