Geometry & MOs

Info

ID:	148728
PubChem CID:	53788397
Reduced:	ClNO2C5H8 (1)
Stoich.:	ABC2D5E8 (1)
Weight, g/mol:	302.18575
ΔH_f, kcal/mol:	-108.55
Dipole, Da:	0.95
IP(EA), eV:	-10.99(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-propylcyclohexyl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene

Drug info:

PubChemData

Smile

CCN(C(=O)C)C(=O)Cl

DOS

IR

Vibrations