Geometry & MOs

Info

ID:	277845
PubChem CID:	103831222
Reduced:	ClON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	298.06808
ΔH_f, kcal/mol:	-59.69
Dipole, Da:	1.94
IP(EA), eV:	-8.91(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[(3-bromophenyl)methyl]hexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations