Geometry & MOs

Info

ID:	125771
PubChem CID:	50937479
Reduced:	NO4C16H17 (1)
Stoich.:	AB4C16D17 (1)
Weight, g/mol:	336.13953
ΔH_f, kcal/mol:	-141.63
Dipole, Da:	6.16
IP(EA), eV:	-9.67(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,4S)-4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl]methyl 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1[C@H]2CN(C[C@@H](C2=O)CC1C(=O)O)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations