Geometry & MOs

Info

ID:	171696
PubChem CID:	75413980
Reduced:	ClN2O2C15H19 (1)
Stoich.:	AB2C2D15E19 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	-68.93
Dipole, Da:	7.95
IP(EA), eV:	-9.67(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-5-(3-methoxyphenyl)tetrazole

Drug info:

PubChemData

Smile

CN(C)C(=O)CNC(=O)C1(CCC1)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations