Geometry & MOs

Info

ID:	253960
PubChem CID:	103121843
Reduced:	O3N4C14H18 (1)
Stoich.:	A3B4C14D18 (1)
Weight, g/mol:	306.053509
ΔH_f, kcal/mol:	-59.64
Dipole, Da:	4.91
IP(EA), eV:	-8.84(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCCN2C(=C(N=N2)C(=O)O)CN

DOS

IR

Vibrations