Geometry & MOs

Info

ID:	190593
PubChem CID:	78025329
Reduced:	ON5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	497.322912
ΔH_f, kcal/mol:	93.46
Dipole, Da:	4.91
IP(EA), eV:	-8.08(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-methyl-4-[3-methyl-4-[1-[4-(trifluoromethyl)phenyl]butyl]piperazin-1-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C=NNC2=NC=NC(=C2)C3=CC=CC=C3OC

DOS

IR

Vibrations