Geometry & MOs

Info

ID:	317658
PubChem CID:	126644882
Reduced:	ClSN3O3H16C17 (1)
Stoich.:	ABC3D3E16F17 (1)
Weight, g/mol:	298.165683
ΔH_f, kcal/mol:	-73.57
Dipole, Da:	1.17
IP(EA), eV:	-9.47(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,4-dimethylcyclohexylidene)amino]-4-(1,2,2-trifluoroethyl)aniline

Drug info:

PubChemData

Smile

CC(C)NC(=O)CN1C=CC(=CC1=O)OC2=NC3=C(S2)C=C(C=C3)Cl

DOS

IR

Vibrations