Geometry & MOs

Info

ID:	195623
PubChem CID:	78712847
Reduced:	N3O5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	315.133139
ΔH_f, kcal/mol:	-140.08
Dipole, Da:	3.94
IP(EA), eV:	-9.51(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-propyltetrazol-5-yl)methyl 2-(4-cyanophenoxy)propanoate

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)OCC(=O)NCC#C

DOS

IR

Vibrations