Geometry & MOs

Info

ID:	189926
PubChem CID:	77923510
Reduced:	FO2N4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	487.18894
ΔH_f, kcal/mol:	-38.03
Dipole, Da:	2.3
IP(EA), eV:	-8.58(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl 4-[(aminomethylideneamino)-[5-methylidene-1-(4-methylsulfonylphenyl)pyrazol-4-ylidene]methoxy]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(C(=O)NC2=C(C=C(C(=C2)OC)C3=CNN=C3)F)N

DOS

IR

Vibrations