Geometry & MOs

Info

ID:	376116
PubChem CID:	134222119
Reduced:	ClNC24H26 (1)
Stoich.:	ABC24D26 (1)
Weight, g/mol:	398.02485
ΔH_f, kcal/mol:	39.22
Dipole, Da:	2.37
IP(EA), eV:	-8.54(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-4-(3-bromo-4-methylphenyl)-1,1-difluorobut-3-en-2-yl]-1-chloro-2,3-dimethylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)Cl)C(C)/C=C/C2=CC=C(C3=CC=CC=C23)CNC

DOS

IR

Vibrations