Geometry & MOs

Info

ID:	65314
PubChem CID:	29212052
Reduced:	O2N3C26H31 (1)
Stoich.:	A2B3C26D31 (1)
Weight, g/mol:	337.177684
ΔH_f, kcal/mol:	-29.05
Dipole, Da:	3.52
IP(EA), eV:	-8.07(0.04)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)[C@@H]1C[C@@H](CN1CC2=CC=CC=C2)NCC3=CC=C(C4=CC=CC=C34)OC

DOS

IR

Vibrations