Geometry & MOs

Info

ID:	233654
PubChem CID:	91148109
Reduced:	ON2F4C30H30 (1)
Stoich.:	AB2C4D30E30 (1)
Weight, g/mol:	481.197712
ΔH_f, kcal/mol:	-165.53
Dipole, Da:	2.07
IP(EA), eV:	-8.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(cyclobutylmethoxy)-3-methylphenyl]-N-[2-[4-(trifluoromethyl)anilino]pyridin-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC[C@H]([C@H](C1)C2=CC=CC=C2)N3CCC(CC3)N(C4=CC(=CC(=C4)F)F)C(=O)C5=C(C=CC(=C5)F)F

DOS

IR

Vibrations