Geometry & MOs

Info

ID:	423174
PubChem CID:	135119050
Reduced:	N3O4C19H23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	-75.73
Dipole, Da:	3.15
IP(EA), eV:	-8.99(-0.45)
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)-(1-phenyltriazol-4-yl)methanone

Drug info:

PubChemData

Smile

CC1=NON=C1CC(=O)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC

DOS

IR

Vibrations