Geometry & MOs

Info

ID:	146862
PubChem CID:	53763260
Reduced:	NO2F3H10C11 (2)
Stoich.:	AB2C3D10E11 (2)
Weight, g/mol:	418.202321
ΔH_f, kcal/mol:	-452.64
Dipole, Da:	3.3
IP(EA), eV:	-9.45(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[[(3-chlorophenyl)-hydroxymethyl]-(2,2-dimethylpropyl)amino]phenyl]carbamate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=C(C=C1)C[C@@H]2CNCCN2C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O

DOS

IR

Vibrations