Geometry & MOs

Info

ID:	401676
PubChem CID:	135052100
Reduced:	F3O3N4C17H19 (1)
Stoich.:	A3B3C4D17E19 (1)
Weight, g/mol:	203.08071
ΔH_f, kcal/mol:	-190.99
Dipole, Da:	7.68
IP(EA), eV:	-9.42(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-[(4-methylphenyl)-(tetrazol-1-yl)methylidene]hydroxylamine

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(C=C1)N2C(C(=C)N=N2)N3CCOCC3)C(F)(F)F

DOS

IR

Vibrations