Geometry & MOs

Info

ID:	75950
PubChem CID:	48424210
Reduced:	N3O4C23H33 (1)
Stoich.:	A3B4C23D33 (1)
Weight, g/mol:	402.176642
ΔH_f, kcal/mol:	-182.58
Dipole, Da:	7.05
IP(EA), eV:	-9.35(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-oxo-3-phenyl-1-[[4-(2,2,2-trifluoroethoxy)cyclohexyl]amino]propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2CCN(CC2)C(=O)C(CC3=CC=CC=C3)NC(=O)OC

DOS

IR

Vibrations