Geometry & MOs

Info

ID:	393285
PubChem CID:	135019936
Reduced:	NO3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	383.246044
ΔH_f, kcal/mol:	-240.38
Dipole, Da:	4.36
IP(EA), eV:	-9.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxyhexyl)-N-[(2S)-1-methoxy-3-phenylpropan-2-yl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CCCC[C@H]1[C@H]2[C@H](N(C3=CC=CC=C3N2C(=O)OC)C(=O)OC)OC1=O

DOS

IR

Vibrations