Geometry & MOs

Info

ID:	312854
PubChem CID:	126609241
Reduced:	FON6C16H19 (1)
Stoich.:	ABC6D16E19 (1)
Weight, g/mol:	290.220557
ΔH_f, kcal/mol:	-18.25
Dipole, Da:	4.37
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[5-(ethoxymethyl)-6-hydroxyhexyl]-3-methoxy-2-(methylamino)propanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(C(=C1C)NC3=NC(=NC(=N3)N)C(C)(C)F)OC=N2)C

DOS

IR

Vibrations