Geometry & MOs

Info

ID:	258796
PubChem CID:	103157046
Reduced:	BrNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	218.126657
ΔH_f, kcal/mol:	-58.33
Dipole, Da:	4.66
IP(EA), eV:	-8.35(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4-[3-(methylamino)propanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NCC(CC2CCCC2)O)Br

DOS

IR

Vibrations