Geometry & MOs

Info

ID:	252844
PubChem CID:	103114559
Reduced:	N2O2C17H28 (1)
Stoich.:	A2B2C17D28 (1)
Weight, g/mol:	274.10659
ΔH_f, kcal/mol:	-32.54
Dipole, Da:	6.48
IP(EA), eV:	-9.13(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 1-(2-amino-2-oxoethyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations