Geometry & MOs

Info

ID:	261834
PubChem CID:	103254210
Reduced:	NSO3C15H19 (1)
Stoich.:	ABC3D15E19 (1)
Weight, g/mol:	253.117489
ΔH_f, kcal/mol:	-100.39
Dipole, Da:	6.66
IP(EA), eV:	-9.14(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(5-oxopyrrolidin-2-yl)methylamino]ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CC(C)NCC2=CC(=C(O2)C)C(=O)O

DOS

IR

Vibrations