Geometry & MOs

Info

ID:	244955
PubChem CID:	99431661
Reduced:	ClO3N4C20H23 (1)
Stoich.:	AB3C4D20E23 (1)
Weight, g/mol:	444.19844
ΔH_f, kcal/mol:	-110.43
Dipole, Da:	10.73
IP(EA), eV:	-8.96(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoroethyl N-[3-[(3R)-3-[[(4-methylphenyl)carbamoylamino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@H]2CCCN(C2)C(=O)C3=CNC(=O)C(=C3)Cl

DOS

IR

Vibrations