Geometry & MOs

Info

ID:	174317
PubChem CID:	75751248
Reduced:	N3O3C19H28 (1)
Stoich.:	A3B3C19D28 (1)
Weight, g/mol:	270.171871
ΔH_f, kcal/mol:	-46.22
Dipole, Da:	7.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.821895
Charge, e:	1

Chem-info

IUPAC name:

(1-cyclopropyltetrazol-5-yl)methyl-(2,3-dihydro-1H-inden-1-yl)-methylazanium

Drug info:

PubChemData

Smile

CC(C)(C)C1=NOC(=N1)C[NH+]2CCCC2C3=C(C=C(C=C3)OC)OC

DOS

IR

Vibrations