Geometry & MOs

Info

ID:	423006
PubChem CID:	135118754
Reduced:	N2O3C15H20 (1)
Stoich.:	A2B3C15D20 (1)
Weight, g/mol:	353.185175
ΔH_f, kcal/mol:	-129.17
Dipole, Da:	7.0
IP(EA), eV:	-9.35(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methyl-1-oxa-9-azaspiro[5.5]undec-4-en-9-yl)-[4-(2-methyltetrazol-5-yl)phenyl]methanone

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)C(=O)C3=CC=CC(=O)N3)O

DOS

IR

Vibrations