Geometry & MOs

Info

ID:	277825
PubChem CID:	103831112
Reduced:	BrN2O2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	270.205576
ΔH_f, kcal/mol:	-86.24
Dipole, Da:	4.81
IP(EA), eV:	-8.97(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-2-aminohexanoyl]-N-ethylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC(C)C1=CC(=C(C=C1)OC)Br)N

DOS

IR

Vibrations