Geometry & MOs

Info

ID:	252408
PubChem CID:	103111171
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	198.111676
ΔH_f, kcal/mol:	2.65
Dipole, Da:	4.97
IP(EA), eV:	-9.36(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-ethyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CN=C(N)NC2CCCCC2

DOS

IR

Vibrations