Geometry & MOs

Info

ID:	42954
PubChem CID:	10317381
Reduced:	FN2O3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	376.176248
ΔH_f, kcal/mol:	-97.33
Dipole, Da:	1.27
IP(EA), eV:	-8.81(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-2-[benzyl-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

C1=C/C(=C\2/NC3=C(C(=CC=C3)O)C(=O)N2CCC4=CC(=CC=C4)F)/C(=O)C=C1

DOS

IR

Vibrations