Geometry & MOs

Info

ID:	276911
PubChem CID:	103825725
Reduced:	ClFN3C13H15 (1)
Stoich.:	ABC3D13E15 (1)
Weight, g/mol:	241.053051
ΔH_f, kcal/mol:	-1.91
Dipole, Da:	2.87
IP(EA), eV:	-8.35(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-4-fluorophenyl)-N-(2H-tetrazol-5-ylmethyl)methanamine

Drug info:

PubChemData

Smile

CC(C)N1C=C(C=N1)NCC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations