Geometry & MOs

Info

ID:	392122
PubChem CID:	135013145
Reduced:	N2O4C16H19 (2)
Stoich.:	A2B4C16D19 (2)
Weight, g/mol:	352.203845
ΔH_f, kcal/mol:	-302.79
Dipole, Da:	3.76
IP(EA), eV:	-8.68(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-naphthalen-1-ylethyl] (1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) carbonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H](C[C@]2([C@@H]1NC3=CC=CC=C32)[C@@]45C[C@H](N([C@@H]4NC6=CC=CC=C56)C(=O)OC(C)(C)C)C(=O)O)C(=O)O

DOS

IR

Vibrations