Geometry & MOs

Info

ID:	65315
PubChem CID:	29212054
Reduced:	ON6C18H21 (1)
Stoich.:	AB6C18D21 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	104.58
Dipole, Da:	7.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793826
Charge, e:	0

Chem-info

IUPAC name:

4-(2H-tetrazol-5-yl)-N-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]benzamide

Drug info:

PubChemData

Smile

C[C@]1\2CC[C@H](C1(C)C)C/C2=N\N=C(C3=CC=C(C=C3)C4=NNN=N4)[O-]

DOS

IR

Vibrations