Geometry & MOs

Info

ID:	282992
PubChem CID:	103951924
Reduced:	FN2O2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-79.0
Dipole, Da:	8.5
IP(EA), eV:	-9.23(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-2-phenylacetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CN=C(C=C2)F)O

DOS

IR

Vibrations