Geometry & MOs

Info

ID:	375994
PubChem CID:	134221993
Reduced:	OCl2N2F3H23C26 (1)
Stoich.:	AB2C2D3E23F26 (1)
Weight, g/mol:	453.202797
ΔH_f, kcal/mol:	-157.84
Dipole, Da:	3.48
IP(EA), eV:	-9.6(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-3-(3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-3-methyl-N-[(6-methylpyridin-3-yl)methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)Cl)C(/C=C/C2=CC(=C(C=C2)C(=O)NC(C)C3=CN=C(C=C3)Cl)C)C(F)(F)F

DOS

IR

Vibrations