Geometry & MOs

Info

ID:	175380
PubChem CID:	75893842
Reduced:	O2S2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	342.191898
ΔH_f, kcal/mol:	0.49
Dipole, Da:	4.36
IP(EA), eV:	-8.56(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,2-dimethyl-1-phenylpropyl)-3-(trifluoromethyl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2=CC=CC=C2NC(=O)C3=CSC(=N3)C4=CC=CS4

DOS

IR

Vibrations