Geometry & MOs

Info

ID:	403111
PubChem CID:	135058800
Reduced:	IN4C8H8 (1)
Stoich.:	AB4C8D8 (1)
Weight, g/mol:	371.024662
ΔH_f, kcal/mol:	133.56
Dipole, Da:	4.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.848706
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-2,2,2-trichloro-1-phenylethyl] N-[(1R)-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

C[N+]1=NC=NN1C2=CC=CC=C2I

DOS

IR

Vibrations