Geometry & MOs

Info

ID:	84876
PubChem CID:	49870536
Reduced:	ON7H17C21 (1)
Stoich.:	AB7C17D21 (1)
Weight, g/mol:	445.238486
ΔH_f, kcal/mol:	94.25
Dipole, Da:	2.47
IP(EA), eV:	-9.12(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[bis(trideuteriomethyl)amino]-N-[3-cyano-7-ethoxy-4-(3-ethynylanilino)quinolin-6-yl]but-2-enamide

Drug info:

PubChemData

Smile

C[C@H](C1=C(C(=O)N2C=CC=CC2=N1)C3=CC=CC=C3)NC4=NC=NC(=C4C#N)N

DOS

IR

Vibrations