Geometry & MOs

Info

ID:	326098
PubChem CID:	126686451
Reduced:	N4O4H28C29 (1)
Stoich.:	A4B4C28D29 (1)
Weight, g/mol:	486.285798
ΔH_f, kcal/mol:	-59.81
Dipole, Da:	6.94
IP(EA), eV:	-8.96(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine

Drug info:

PubChemData

Smile

C1CN2C(CN1C(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)N(C2=O)[C@@H]5C[C@H]5C6=CC=CC=C6

DOS

IR

Vibrations