Geometry & MOs

Info

ID:	314019
PubChem CID:	126619606
Reduced:	NOC18H31 (1)
Stoich.:	ABC18D31 (1)
Weight, g/mol:	488.325023
ΔH_f, kcal/mol:	-69.49
Dipole, Da:	3.34
IP(EA), eV:	-8.69(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-[2-[3-amino-1-(3-pentoxyphenyl)propoxy]-5-(4-methoxybutoxy)phenyl]propan-1-ol

Drug info:

PubChemData

Smile

CCCC(CCC)COC1=CC=CC(=C1)C[C@@H](C)CN

DOS

IR

Vibrations