Geometry & MOs

Info

ID:	393891
PubChem CID:	135021918
Reduced:	N2O2C19H19 (1)
Stoich.:	A2B2C19D19 (1)
Weight, g/mol:	445.210052
ΔH_f, kcal/mol:	0.51
Dipole, Da:	3.77
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.027364
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl [(1S,2R)-1-(3,4-dimethoxyphenyl)-3-(4-methoxyanilino)-2-methyl-3-oxopropyl] carbonate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N[C]1C2=CC=CC=C2)C3=CC=CC=C3)C

DOS

IR

Vibrations