Geometry & MOs

Info

ID:	252379
PubChem CID:	103110960
Reduced:	N3C7H8 (2)
Stoich.:	A3B7C8 (2)
Weight, g/mol:	230.117904
ΔH_f, kcal/mol:	91.78
Dipole, Da:	4.86
IP(EA), eV:	-8.69(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-(3-fluoropropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)CNC2=C3C=NN(C3=NC=N2)C

DOS

IR

Vibrations