Geometry & MOs

Info

ID:	429975
PubChem CID:	135170030
Reduced:	ISO3N6H21C23 (1)
Stoich.:	ABC3D6E21F23 (1)
Weight, g/mol:	460.222289
ΔH_f, kcal/mol:	52.77
Dipole, Da:	6.26
IP(EA), eV:	-9.25(-2.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-(3-acetamido-4-morpholin-4-ylquinolin-6-yl)-2-(methylideneamino)-1H-pyrrol-3-yl]-N,2-dimethylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC2=C3C=C(C=CC3=NC=C2[N+](=O)[O-])C4=CN(C5=C4C=CC=N5)SI

DOS

IR

Vibrations