Geometry & MOs

Info

ID:	213978
PubChem CID:	81065615
Reduced:	N3O3C11H15 (1)
Stoich.:	A3B3C11D15 (1)
Weight, g/mol:	298.164105
ΔH_f, kcal/mol:	-111.59
Dipole, Da:	5.04
IP(EA), eV:	-8.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC1=CC=CC(=N1)C(=O)N

DOS

IR

Vibrations