Geometry & MOs

Info

ID:	252479
PubChem CID:	103111675
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	264.133474
ΔH_f, kcal/mol:	-68.77
Dipole, Da:	3.48
IP(EA), eV:	-8.64(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[(1-methylpyrazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC1=C(C=CC=N1)OCC

DOS

IR

Vibrations