Geometry & MOs

Info

ID:	177444
PubChem CID:	76185891
Reduced:	N3O5H19C21 (1)
Stoich.:	A3B5C19D21 (1)
Weight, g/mol:	375.201888
ΔH_f, kcal/mol:	-122.46
Dipole, Da:	8.76
IP(EA), eV:	-9.4(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-(tetrazol-2-yl)propan-2-yl]-11-oxa-4,6,16-triazatetracyclo[8.7.0.03,8.012,16]heptadecane-7,17-dione

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)CN3C(=O)C(C(C4=CC=CN43)O)C(=O)NCC(=O)O

DOS

IR

Vibrations