Geometry & MOs

Info

ID:	325208
PubChem CID:	126681962
Reduced:	N3O5H37C40 (1)
Stoich.:	A3B5C37D40 (1)
Weight, g/mol:	198.111676
ΔH_f, kcal/mol:	-26.09
Dipole, Da:	4.65
IP(EA), eV:	-8.67(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(2-propyltetrazol-5-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1OCCCOC3=C(C=C4C(=C3)C=C[C@H]5CC6=CC=CC=C6CN5C4=O)OC)N=C[C@@H]7CC8=CC=CC=C8CN7C2=O

DOS

IR

Vibrations