Geometry & MOs

Info

ID:	382197
PubChem CID:	134973187
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	395.148121
ΔH_f, kcal/mol:	-130.65
Dipole, Da:	4.75
IP(EA), eV:	-10.34(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(1S,8R,9R,13S)-11,11-dimethyl-10,12-dioxa-3,5-diazatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-trien-4-yl]carbamoyl]benzoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](CC(=O)NC(=O)C1=CC=CC=C1)O

DOS

IR

Vibrations