Geometry & MOs

Info

ID:	253550
PubChem CID:	103119156
Reduced:	O2N3C13H15 (1)
Stoich.:	A2B3C13D15 (1)
Weight, g/mol:	272.127326
ΔH_f, kcal/mol:	-19.76
Dipole, Da:	0.67
IP(EA), eV:	-9.68(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-aminoethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)CC(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations