Geometry & MOs

Info

ID:	376161
PubChem CID:	134222165
Reduced:	ClNO2F3H25C28 (1)
Stoich.:	ABC2D3E25F28 (1)
Weight, g/mol:	433.186478
ΔH_f, kcal/mol:	-176.29
Dipole, Da:	8.02
IP(EA), eV:	-9.52(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-methyl-4-[(E)-4,4,4-trifluoro-3-(3,4,5-trimethylphenyl)but-1-enyl]phenyl]methylamino]-2-oxoacetate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)Cl)C(/C=C/C2=CC=C(C=C2)CN(C)C(=O)C3=CC=CC=C3C=O)C(F)(F)F

DOS

IR

Vibrations