Geometry & MOs

Info

ID:	151980
PubChem CID:	56310815
Reduced:	N3O3C22H33 (1)
Stoich.:	A3B3C22D33 (1)
Weight, g/mol:	435.176976
ΔH_f, kcal/mol:	-132.26
Dipole, Da:	5.69
IP(EA), eV:	-8.41(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2CCCCCC2)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations