Geometry & MOs

Info

ID:	277787
PubChem CID:	103830977
Reduced:	BrN2O2C15H23 (1)
Stoich.:	AB2C2D15E23 (1)
Weight, g/mol:	290.235814
ΔH_f, kcal/mol:	-79.73
Dipole, Da:	4.92
IP(EA), eV:	-8.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)N(C)CC1=C(C=CC(=C1)Br)OC)N

DOS

IR

Vibrations