Geometry & MOs

Info

ID:	127854
PubChem CID:	51019410
Reduced:	O5C27H36 (1)
Stoich.:	A5B27C36 (1)
Weight, g/mol:	164.131349
ΔH_f, kcal/mol:	-202.12
Dipole, Da:	1.24
IP(EA), eV:	-9.46(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-1,7,7-trimethylspiro[bicyclo[2.2.1]heptane-2,3'-diazirine]

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CCC(=C)[C@@H]2[C@H]1[C@H]3[C@](CCC(=O)[C@](C[C@@H]2O3)(C)O)(C)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations