Geometry & MOs

Info

ID:	256211
PubChem CID:	103137760
Reduced:	ON4C15H18 (1)
Stoich.:	AB4C15D18 (1)
Weight, g/mol:	287.126991
ΔH_f, kcal/mol:	4.35
Dipole, Da:	2.3
IP(EA), eV:	-8.3(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyloxolan-2-yl)methyl]-5-phenyltriazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN1C2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations