Geometry & MOs

Info

ID:	375903
PubChem CID:	134221899
Reduced:	NF3O5C32H32 (1)
Stoich.:	AB3C5D32E32 (1)
Weight, g/mol:	522.14936
ΔH_f, kcal/mol:	-321.25
Dipole, Da:	9.99
IP(EA), eV:	-8.76(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(1-methylpiperidin-4-yl)-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC2=C(CCN2C(=O)C3=C(C=CC(=C3)F)F)C(=C1[C@@H](C(=O)O)OC(C)(C)C)C4=CC(=C5C(=C4C)CCCO5)F

DOS

IR

Vibrations