Geometry & MOs

Info

ID:	251910
PubChem CID:	103107800
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-139.33
Dipole, Da:	2.75
IP(EA), eV:	-8.39(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1-oxaspiro[5.5]undecan-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=CC2=C(C=C1O)OCO2

DOS

IR

Vibrations