Geometry & MOs

Info

ID:	277863
PubChem CID:	103831366
Reduced:	O2N3C13H25 (1)
Stoich.:	A2B3C13D25 (1)
Weight, g/mol:	294.194343
ΔH_f, kcal/mol:	-120.51
Dipole, Da:	3.22
IP(EA), eV:	-9.61(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]hexanamide

Drug info:

PubChemData

Smile

CCCC[C@@H](C(=O)NCC(=O)N1CCCCC1)N

DOS

IR

Vibrations