Geometry & MOs

Info

ID:	178641
PubChem CID:	76360822
Reduced:	ClO2N4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	413.02383
ΔH_f, kcal/mol:	7.38
Dipole, Da:	9.71
IP(EA), eV:	-8.85(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-2-methoxy-6-methylphenyl)-4,4,4-trifluoro-3-phenylbut-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C=CC(=O)NC2=CC=C(C=C2)N3C=CC(=N3)C(=O)N)Cl

DOS

IR

Vibrations