Geometry & MOs

Info

ID:	133918
PubChem CID:	51613944
Reduced:	OCl2N7H15C19 (1)
Stoich.:	AB2C7D15E19 (1)
Weight, g/mol:	440.267508
ΔH_f, kcal/mol:	166.04
Dipole, Da:	7.66
IP(EA), eV:	-8.89(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-phenylbutyl] N-[4-[[(1S)-1-phenylbutoxy]carbonylamino]butyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC2=NC3=NON=C3N=C2N/N=C\C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations