Geometry & MOs

Info

ID:	253895
PubChem CID:	103121388
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	373.97813
ΔH_f, kcal/mol:	13.08
Dipole, Da:	3.89
IP(EA), eV:	-8.85(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[2-(2-bromo-4-chlorophenoxy)ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C1=C2C=CC=CN2N=C1)/C(=N/O)/N

DOS

IR

Vibrations