Geometry & MOs

Info

ID:	150338
PubChem CID:	53790026
Reduced:	O5C13H16 (1)
Stoich.:	A5B13C16 (1)
Weight, g/mol:	271.106925
ΔH_f, kcal/mol:	-206.48
Dipole, Da:	2.56
IP(EA), eV:	-8.96(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-N-(6H-triazolo[1,5-a][1,4]benzodiazepin-7-yl)propanamide

Drug info:

PubChemData

Smile

CCOC(=O)COC(=O)[C@@H](C)C1=CC=C(C=C1)O

DOS

IR

Vibrations