Geometry & MOs

Info

ID:	42312
PubChem CID:	8149424
Reduced:	OSN3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	321.217818
ΔH_f, kcal/mol:	2.15
Dipole, Da:	2.69
IP(EA), eV:	-8.55(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-cyanoethyl-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-(2-methylpropyl)azanium

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NCC2=NC3=C(C4=C(S3)CCC4)C(=O)N2

DOS

IR

Vibrations