Geometry & MOs

Info

ID:	303878
PubChem CID:	124490554
Reduced:	N5C6H9 (1)
Stoich.:	A5B6C9 (1)
Weight, g/mol:	210.125594
ΔH_f, kcal/mol:	83.42
Dipole, Da:	6.58
IP(EA), eV:	-9.51(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,4S)-4,7,7-trimethyl-3-oxo-1-bicyclo[2.2.1]heptanyl]acetic acid

Drug info:

PubChemData

Smile

C1CC2=NN=C(N2C1)/C=N\N

DOS

IR

Vibrations