Geometry & MOs

Info

ID:	404068
PubChem CID:	135064825
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	242.037706
ΔH_f, kcal/mol:	-24.07
Dipole, Da:	6.31
IP(EA), eV:	-9.21(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclopropylethynylsulfanyl)-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC(=CCC(=C=C)N1[C@@H](COC1=O)CC2=CC=CC=C2)C

DOS

IR

Vibrations