Geometry & MOs

Info

ID:	277786
PubChem CID:	103830974
Reduced:	BrON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	342.09429
ΔH_f, kcal/mol:	-47.09
Dipole, Da:	5.55
IP(EA), eV:	-8.73(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(5-bromo-2-methoxyphenyl)methyl]-N-methylhexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NC1=C(C=C(C=C1)Br)C)N

DOS

IR

Vibrations