Geometry & MOs

Info

ID:	252424
PubChem CID:	103111272
Reduced:	ON3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	261.122575
ΔH_f, kcal/mol:	-7.8
Dipole, Da:	2.38
IP(EA), eV:	-8.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-(pyridin-3-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=NC=CC2=CC=CC=C21

DOS

IR

Vibrations