Geometry & MOs

Info

ID:	180866
PubChem CID:	76696889
Reduced:	N4O4C23H34 (1)
Stoich.:	A4B4C23D34 (1)
Weight, g/mol:	553.166332
ΔH_f, kcal/mol:	-146.3
Dipole, Da:	7.31
IP(EA), eV:	-8.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1-[1-[2,5-bis(trifluoromethyl)phenyl]ethyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-ylidene]acetate

Drug info:

PubChemData

Smile

CC(C)NC1=CC(=C2C(=C1)OCCCO2)C(=O)NCC3CCN(CC3O)CCCC#N

DOS

IR

Vibrations