Geometry & MOs

Info

ID:	172598
PubChem CID:	75528933
Reduced:	O10C17H18 (1)
Stoich.:	A10B17C18 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-374.23
Dipole, Da:	9.1
IP(EA), eV:	-9.32(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-2-(hydroxymethyl)-1-methyl-2,3,4,6-tetrahydropyrido[3,2-b][1,5]diazocin-5-yl]methyl]phenol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1/C=C/C(=O)OC2C(C=C(OC2C(CO)O)C(=O)O)O)O)O

DOS

IR

Vibrations