Geometry & MOs

Info

ID:	156584
PubChem CID:	56371235
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	465.260312
ΔH_f, kcal/mol:	-130.96
Dipole, Da:	3.14
IP(EA), eV:	-8.75(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cycloheptylpyrrolidin-3-yl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CC(CC2=O)C(=O)NC3CCN(C3)C4CCCCCC4

DOS

IR

Vibrations