Geometry & MOs

Info

ID:	293791
PubChem CID:	117401974
Reduced:	O2N3C14H17 (1)
Stoich.:	A2B3C14D17 (1)
Weight, g/mol:	259.132077
ΔH_f, kcal/mol:	-1.85
Dipole, Da:	2.45
IP(EA), eV:	-8.46(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3-[2-(4-methyltriazol-2-yl)phenyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2CCOCC2)C3=NOC(=C3)N

DOS

IR

Vibrations