Geometry & MOs

Info

ID:	376027
PubChem CID:	134222027
Reduced:	P2O21C26H52 (1)
Stoich.:	A2B21C26D52 (1)
Weight, g/mol:	435.9608
ΔH_f, kcal/mol:	-1128.41
Dipole, Da:	6.21
IP(EA), eV:	-10.38(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-4-(3-bromo-4-methylphenyl)-1,1,1-trifluorobut-3-en-2-yl]-1,2-dichloro-3-methylbenzene

Drug info:

PubChemData

Smile

CCCCCCOP(=O)(O)OCC(C(C(COC1CC(C(O1)CO)OP(=O)(O)OCC(C(C(COC2CC(C(O2)CO)O)O)O)O)O)O)O

DOS

IR

Vibrations