Geometry & MOs

Info

ID:	245746
PubChem CID:	103023332
Reduced:	BrN2O2C14H23 (1)
Stoich.:	AB2C2D14E23 (1)
Weight, g/mol:	231.183444
ΔH_f, kcal/mol:	-82.53
Dipole, Da:	3.86
IP(EA), eV:	-9.14(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-aminobutyl)-5-methoxy-5-methylhexanoic acid

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CC(=O)CC(C)(C)OC)CC

DOS

IR

Vibrations