Geometry & MOs

Info

ID:	322036
PubChem CID:	126668350
Reduced:	O5N13C45H57 (1)
Stoich.:	A5B13C45D57 (1)
Weight, g/mol:	358.115619
ΔH_f, kcal/mol:	-84.03
Dipole, Da:	9.09
IP(EA), eV:	-8.68(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-2-(4-propan-2-ylphenyl)ethenyl]-3,5-bis(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CCCCOC1=NC(=C2C(=N1)N(C(=O)C(=O)N2)CC3=CC(=C(C=C3)CN4CCCC4)NC5=C6C(=NC(=N5)C(=O)N(C)CCC)N(CC(=O)N6)CC7=CC=C(C=C7)CN8CCCC8)N

DOS

IR

Vibrations