Geometry & MOs

Info

ID:	17397
PubChem CID:	495823
Reduced:	N2F3O3C21H21 (1)
Stoich.:	A2B3C3D21E21 (1)
Weight, g/mol:	406.150427
ΔH_f, kcal/mol:	-255.11
Dipole, Da:	6.08
IP(EA), eV:	-9.46(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]cyclopentyl]carbamate

Drug info:

PubChemData

Smile

C1CC(C(C1)NC(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations