Geometry & MOs

Info

ID:	252848
PubChem CID:	103114575
Reduced:	O2N3C13H19 (1)
Stoich.:	A2B3C13D19 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	5.03
Dipole, Da:	5.94
IP(EA), eV:	-9.13(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-ethyl-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2CCNCC2

DOS

IR

Vibrations