Geometry & MOs

Info

ID:	253925
PubChem CID:	103121569
Reduced:	O2N5C13H17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	236.09094
ΔH_f, kcal/mol:	10.13
Dipole, Da:	2.23
IP(EA), eV:	-9.18(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[(5-methylfuran-2-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations