Geometry & MOs

Info

ID:	275341
PubChem CID:	103815314
Reduced:	NSO4C10H21 (1)
Stoich.:	ABC4D10E21 (1)
Weight, g/mol:	225.147727
ΔH_f, kcal/mol:	-191.45
Dipole, Da:	6.81
IP(EA), eV:	-9.69(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)CCN(C)CCCC(=O)O

DOS

IR

Vibrations