Geometry & MOs

Info

ID:	252492
PubChem CID:	103111761
Reduced:	O2N4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	64.17
Dipole, Da:	3.74
IP(EA), eV:	-9.2(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[(3-methylpyridin-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)NCC2=C(C(=CC=C2)[N+](=O)[O-])C)C#N

DOS

IR

Vibrations