Geometry & MOs

Info

ID:	233569
PubChem CID:	91145482
Reduced:	ON2C14H16 (1)
Stoich.:	AB2C14D16 (1)
Weight, g/mol:	553.231217
ΔH_f, kcal/mol:	8.62
Dipole, Da:	1.21
IP(EA), eV:	-8.85(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-[amino-(4-methoxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)methyl]-3-fluoro-4-(morpholin-4-ylmethyl)anilino]-2-imino-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CC.C1=CC=C(C=C1)C(=O)C2=C(C=NC=C2)N

DOS

IR

Vibrations