Geometry & MOs

Info

ID:	258834
PubChem CID:	103157191
Reduced:	ON2C14H22 (1)
Stoich.:	AB2C14D22 (1)
Weight, g/mol:	218.126657
ΔH_f, kcal/mol:	-37.0
Dipole, Da:	2.9
IP(EA), eV:	-9.38(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminobutanoylamino)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

C1CCC(C1)CC(CNCC2=CN=CC=C2)O

DOS

IR

Vibrations