Geometry & MOs

Info

ID:	175926
PubChem CID:	75968790
Reduced:	N2O3C10H17 (2)
Stoich.:	A2B3C10D17 (2)
Weight, g/mol:	533.314123
ΔH_f, kcal/mol:	-298.84
Dipole, Da:	4.28
IP(EA), eV:	-9.7(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-[4-(1-benzyl-4-hydroxypyrrolidin-3-yl)oxy-3-methylphenyl]pentan-3-yl]-2-methylphenoxy]propane-1,2-diol

Drug info:

PubChemData

Smile

CC=C(C)C(=O)NCCCCC(C(=O)NC(C)C(=O)OC)NC(=O)C(C)NC(=O)C

DOS

IR

Vibrations