Geometry & MOs

Info

ID:	172411
PubChem CID:	75505772
Reduced:	ClO2N3C17H18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	346.05416
ΔH_f, kcal/mol:	-37.68
Dipole, Da:	3.48
IP(EA), eV:	-8.81(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-bromophenyl)methyl]-1-(3-imidazol-1-ylpropyl)tetrazole

Drug info:

PubChemData

Smile

CN(CC1=CC=NC=C1)C(=O)NCC2=CC(=CC3=C2OCC3)Cl

DOS

IR

Vibrations