Geometry & MOs

Info

ID:	353725
PubChem CID:	127285302
Reduced:	ClN5C13H16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	305.140723
ΔH_f, kcal/mol:	93.28
Dipole, Da:	7.49
IP(EA), eV:	-9.69(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclobutan-1-amine

Drug info:

PubChemData

Smile

CN1C(=NN=N1)CNC2(CCC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations