Geometry & MOs

Info

ID:	188247
PubChem CID:	77687963
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	414.125882
ΔH_f, kcal/mol:	-69.68
Dipole, Da:	3.33
IP(EA), eV:	-7.97(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-6-[3-[4-chloro-2-(fluoromethyl)anilino]-6-oxocyclohexa-2,4-dien-1-ylidene]-3H-pyridin-3-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC1=C(N(C(C(=C1)C2=CC=CC=C2OC)CN)C)NC3CNC(=O)NC3=O

DOS

IR

Vibrations