Geometry & MOs

Info

ID:	161874
PubChem CID:	57392908
Reduced:	ClN5C17H18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	291.148396
ΔH_f, kcal/mol:	108.11
Dipole, Da:	0.84
IP(EA), eV:	-9.31(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-diphenyl-N-(2H-tetrazol-5-ylmethyl)prop-2-en-1-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=CCNCC2=NNN=N2)C3=CC=CC=C3.Cl

DOS

IR

Vibrations