Geometry & MOs

Info

ID:	127736
PubChem CID:	51013201
Reduced:	PSO5C45H45 (1)
Stoich.:	ABC5D45E45 (1)
Weight, g/mol:	202.146999
ΔH_f, kcal/mol:	-123.92
Dipole, Da:	7.77
IP(EA), eV:	-9.19(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1R,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2,5-dimethyl-2,3-dihydropyrazine

Drug info:

PubChemData

Smile

CC1([C@H]2CC[C@@]1([C@@H](C2)OC(=O)C(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)CCC6=CC=CC=C6)CS(=O)(=O)C7=CC=CC=C7)C

DOS

IR

Vibrations