Geometry & MOs

Info

ID:	65312
PubChem CID:	29212044
Reduced:	OSN2C11H14 (2)
Stoich.:	ABC2D11E14 (2)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	-44.12
Dipole, Da:	5.8
IP(EA), eV:	-8.59(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2H-tetrazol-5-yl)-N-[(E)-[(1R,4R)-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\NC(=O)CSCC3=NC4=C(C5=C(S4)CCC5)C(=O)N3

DOS

IR

Vibrations