Geometry & MOs

Info

ID:	266538
PubChem CID:	103569947
Reduced:	N3O3C9H13 (1)
Stoich.:	A3B3C9D13 (1)
Weight, g/mol:	238.117824
ΔH_f, kcal/mol:	-87.87
Dipole, Da:	7.78
IP(EA), eV:	-9.86(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-azidoethylamino)-2-(1-ethylpyrazol-4-yl)acetic acid

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(C(=O)O)N(C)C=O

DOS

IR

Vibrations