Geometry & MOs

Info

ID:	35157
PubChem CID:	7979397
Reduced:	SN2O5C19H22 (1)
Stoich.:	AB2C5D19E22 (1)
Weight, g/mol:	266.175619
ΔH_f, kcal/mol:	-178.99
Dipole, Da:	1.34
IP(EA), eV:	-8.98(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-hydroxybutyl-[(3-methoxy-2-prop-2-enoxyphenyl)methyl]azanium

Drug info:

PubChemData

Smile

C1C[C@@]2(N(C1=O)[C@@H](CS2)C(=O)OCC(=O)N3CCOCC3)C4=CC=CC=C4

DOS

IR

Vibrations